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107-15-3 molecular structure
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ethane-1,2-diamine

ChemBase ID: 103242
Molecular Formular: C2H8N2
Molecular Mass: 60.09832
Monoisotopic Mass: 60.06874827
SMILES and InChIs

SMILES:
NCCN
Canonical SMILES:
NCCN
InChI:
InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
InChIKey:
PIICEJLVQHRZGT-UHFFFAOYSA-N

Cite this record

CBID:103242 http://www.chembase.cn/molecule-103242.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethane-1,2-diamine
IUPAC Systematic name
Ethane-1,2-diamine
IUPAC Traditional name
ethylenediamine
Synonyms
Edamine
Ethylenediamine
1,2-Diaminoethane
ETHYLENEDIAMINE
ETHYLENEDIAMINE ANHYDROUS, CERTIFIED GRADE
Ethylenediamine solution
1,2-Ethanediamine
1,2-二氨基乙烷
乙二胺
乙二胺 溶液
CAS Number
107-15-3
EC Number
203-468-6
MDL Number
MFCD00008204
Beilstein Number
605263
4123523
Merck Index
143795
PubChem SID
162090553
24845499
24894420
24854432
24894477
24894428
24865689
24849054
24864357
PubChem CID
3301
CHEBI ID
30347
CHEMBL
816
Chemspider ID
13835550
Gmelin ID
1098
KEGG ID
D01114
MeSH Name
ethylenediamine
Unique Ingredient Identifier
60V9STC53F
Wikipedia Title
Ethylenediamine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.91292  LogD (pH = 7.4) -3.7797713 
Log P -1.4224427  Molar Refractivity 17.8686 cm3
Polarizability 7.4730473 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Soluble in water, alcohol. Slightly soluble in ether expand Show data source
Apperance
Colorless liquid expand Show data source
Melting Point
8 °C expand Show data source
8°C expand Show data source
8.5 °C(lit.) expand Show data source
8-11°C expand Show data source
Boiling Point
116 °C at 1013 hPa expand Show data source
116°C expand Show data source
117-118°C expand Show data source
118 °C(lit.) expand Show data source
Flash Point
100.4 °F expand Show data source
34 °C expand Show data source
34°C (93.2°F) expand Show data source
38 °C (DIN 51755) expand Show data source
38 °C expand Show data source
38°C(100°F) expand Show data source
93.2 °F expand Show data source
Auto Ignition Point
385°C (725°F) expand Show data source
400 °C (DIN 51794) expand Show data source
716 °F expand Show data source
Density
.902 g/cm3 at 20 °C expand Show data source
0.899 expand Show data source
0.899 g/mL at 25 °C(lit.) expand Show data source
0.90 g/cm3-1 expand Show data source
Refractive Index
1.4565 expand Show data source
n20/D 1.456 expand Show data source
n20/D 1.4565(lit.) expand Show data source
n20/D 1.457 expand Show data source
Vapor Pressure
1.3 kPa (at 20 °C) expand Show data source
10 mmHg ( 20 °C) expand Show data source
12 hPa at 20 °C expand Show data source
Vapor Density
2.07 (vs air) expand Show data source
2.1 (air = 1) expand Show data source
Partition Coefficient
-2.057 expand Show data source
Henry Constant
5.8 mol Pa-1 kg-1 expand Show data source
Odor
Ammoniacal expand Show data source
Heat Capacity
172.59 J K-1 mol-1 expand Show data source
Std enthalpy of combustion
-1.8678–-1.8668 MJ mol-1 expand Show data source
Std enthalpy of formation
-63.55–-62.47 kJ mol-1 expand Show data source
Std molar entropy
202.42 J K-1 mol-1 expand Show data source
Storage Condition
Room Temperature (15-30°C), Store Under Nitrogen expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
KH8575000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
UN Number
1604 expand Show data source
UN1604 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Australian Hazchem
2W expand Show data source
Risk Statements
10-21/22-34-42/43 expand Show data source
R:10-21/22-34-42/43-53 expand Show data source
R10, R21/22, R34, R42/43 expand Show data source
Safety Statements
23-26-36/37/39-45 expand Show data source
S:23-26-29-45-36/37/39 expand Show data source
S:23-26-29-45-36/37/39-45 expand Show data source
S1/2, S26, S36/37/39, S45 expand Show data source
EU Classification
CF1 expand Show data source
EU Hazard Identification Number
8A expand Show data source
Emergency Response Guidebook(ERG) Number
132 expand Show data source
TSCA Listed
expand Show data source
EU Index
612-006-00-6 expand Show data source
GHS Pictograms
GHS corrosion expand Show data source
GHS exclamation mark expand Show data source
GHS flame expand Show data source
GHS health hazard expand Show data source
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
DANGER expand Show data source
Danger expand Show data source
NFPA704
NFPA 704 diagram
3
3
0
expand Show data source
LD50
1.2 g kg-1 (oral, rat) expand Show data source
Explode Limits
16 % expand Show data source
2.7–16% expand Show data source
GHS Hazard statements
226, 302, 312, 314, 317, 334 expand Show data source
H226-H302-H312-H314-H317-H334 expand Show data source
H226-H302-H312-H315-H317-H318-H334 expand Show data source
H334-H317-H314-H226-H302-H312 expand Show data source
GHS Precautionary statements
261, 280, 305+351+338, 310 expand Show data source
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P280-P305 + P351 + P338-P310 expand Show data source
P261-P280-P305 + P351 + P338-P342 + P311 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1604 8/PG 2 expand Show data source
Gene Information
human ... FNTA(2339) expand Show data source
Purity
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (GC) expand Show data source
≥99.5% expand Show data source
≥99.5% (GC) expand Show data source
≥99.8% (GC) expand Show data source
75-80% expand Show data source
99% expand Show data source
Grade
absolute expand Show data source
analytical standard expand Show data source
for GC expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
SAJ special grade expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
meets USP testing specifications expand Show data source
Ignition Residue
≤0.1% expand Show data source
Evaporation Residue
≤0.05% expand Show data source
Impurities
≤0.0005% Phosphorus (P) expand Show data source
≤0.5% water expand Show data source
≤1% water expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Ca: ≤0.0005% expand Show data source
Ca: ≤5 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤1 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤1 mg/kg expand Show data source
K: ≤0.005% expand Show data source
K: ≤20 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤1 mg/kg expand Show data source
Mn: ≤1 mg/kg expand Show data source
Na: ≤0.005% expand Show data source
Na: ≤20 mg/kg expand Show data source
NH4+: ≤0.05% expand Show