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15520-10-2 molecular structure
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2-methylpentane-1,5-diamine

ChemBase ID: 146501
Molecular Formular: C6H16N2
Molecular Mass: 116.20464
Monoisotopic Mass: 116.13134852
SMILES and InChIs

SMILES:
CC(CCCN)CN
Canonical SMILES:
NCCCC(CN)C
InChI:
InChI=1S/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3
InChIKey:
JZUHIOJYCPIVLQ-UHFFFAOYSA-N

Cite this record

CBID:146501 http://www.chembase.cn/molecule-146501.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylpentane-1,5-diamine
IUPAC Traditional name
1,5-pentanediamine, 2-methyl-
Synonyms
2-Methyl-1,5-pentanediamine
2-Methylpentamethylene diamine
1,5-Diamino-2-methylpentane
2-甲基-1,5-二氨基戊烷
2-甲基-1,5-戊二胺
1,5-二氨基-2-甲基戊烷
CAS Number
15520-10-2
EC Number
239-556-6
MDL Number
MFCD00013460
Beilstein Number
1732701
PubChem SID
24859804
162240696
PubChem CID
85862

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 85862 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.0840077  LogD (pH = 7.4) -5.2578974 
Log P -0.035578772  Molar Refractivity 36.4512 cm3
Polarizability 14.858968 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
193 °C(lit.) expand Show data source
Flash Point
179.6 °F expand Show data source
82 °C expand Show data source
Auto Ignition Point
568 °F expand Show data source
Density
0.86 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.459 expand Show data source
n20/D 1.459(lit.) expand Show data source
Vapor Pressure
130 mmHg ( 135 °C) expand Show data source
RTECS
SA0248500 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
22-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 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 2735 8/PG 1 expand Show data source
Purity
≥98.0% (GC) expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Impurities
≤2% water expand Show data source
Linear Formula
NH2CH2CH2CH2CH(CH3)CH2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 329665 external link
Packaging
1, 2.5 L in glass bottle
25 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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