Home > Compound List > Compound details
373-44-4 molecular structure
click picture or here to close

octane-1,8-diamine

ChemBase ID: 3935
Molecular Formular: C8H20N2
Molecular Mass: 144.2578
Monoisotopic Mass: 144.16264865
SMILES and InChIs

SMILES:
NCCCCCCCCN
Canonical SMILES:
NCCCCCCCCN
InChI:
InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
InChIKey:
PWGJDPKCLMLPJW-UHFFFAOYSA-N

Cite this record

CBID:3935 http://www.chembase.cn/molecule-3935.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octane-1,8-diamine
IUPAC Traditional name
octamethylenediamine
Synonyms
1,8-Diaminooctane solution
Additive Screening Solution 35/Fluka kit no 78374
1,8-Diaminooctane 1 M solution
1,8-Diaminooctane
Octamethylenediamine
1,8-Diaminooctane
1,8-Diaminooctane
1,8-Octanediamine
1,8-Octylenediamine
1,8-Octamethylenediamine
Octamethylenediamine
1,8-辛二胺
辛二胺
1,8-二氨基辛烷
CAS Number
373-44-4
EC Number
206-764-3
MDL Number
MFCD00008248
Beilstein Number
1735426
PubChem SID
160967370
46508806
24893667
24850065
24860014
PubChem CID
24250

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) -5.114822  LogD (pH = 7.4) -4.275269 
Log P 0.9331544  Molar Refractivity 45.7826 cm3
Polarizability 18.552586 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 1.29  LOG S -1.77 
Solubility (Water) 2.43e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
50-52 °C expand Show data source
50-52 °C(lit.) expand Show data source
50-52°C expand Show data source
50-54°C expand Show data source
Boiling Point
225-226 °C(lit.) expand Show data source
225-226°C expand Show data source
225-226°C expand Show data source
Flash Point
106 °C expand Show data source
106°C(223°F) expand Show data source
222.8 °F expand Show data source
Density
0.98 g/mL at 20 °C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Air Sensitive & Hygroscopic expand Show data source
RTECS
RG8841500 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2735 expand Show data source
3259 expand Show data source
UN3259 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
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
22-34-43 expand Show data source
34 expand Show data source
R:36 expand Show data source
Safety Statements
24-26-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S:26 expand Show data source
TSCA Listed
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
H314 expand Show data source
H314-H318-H302-H317 expand Show data source
GHS Precautionary statements
P280-P262-P305+P351+P338-P309-P310 expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
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 3 expand Show data source
UN 3259 8/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (NT) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
NH2(CH2)8NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
DrugBank - DB04333 external link
Drug information: experimental
Sigma Aldrich - D22401 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle