1,3-Diaminopropane

CAS Number: 109-76-2

Molecular Formula: C3H10N2

About 1,3-Diaminopropane

1,3-Diaminopropane CAS 109-76-2 is a versatile building block in the API intermediates market, primarily utilised for the synthesis of pharmaceutical agents like piroxantrone and losoxantrone, with high-purity fine chemicals reaching >= 99% for specialised medical applications. Trimethylenediamine serves as an essentia...

1,3-Diaminopropane Specifications

CAS Number

109-76-2

Molecular Formula

C3H10N2

Molecular Weight

74.13 g/mol

IUPAC Name

propane-1,3-diamine

Canonical SMILES

C(CN)CN

InChI Key

XFNJVJPLKCPIBV-UHFFFAOYSA-N

InChI

InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2

UNII Code

CB3ISL56KG

ChEBI ID

CHEBI:15725

HMDB ID

HMDB0000002

DSSTox Substance ID

DTXSID1021906

EINECS Number

203-702-7

UN Number

2734

MDL Number

MFCD00008228

CAS Number

109-76-2

Molecular Formula

C3H10N2

Molecular Weight

74.13 g/mol

IUPAC Name

propane-1,3-diamine

Canonical SMILES

C(CN)CN

InChI Key

XFNJVJPLKCPIBV-UHFFFAOYSA-N

InChI

InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2

UNII Code

CB3ISL56KG

ChEBI ID

CHEBI:15725

HMDB ID

HMDB0000002

DSSTox Substance ID

DTXSID1021906

EINECS Number

203-702-7

UN Number

2734

MDL Number

MFCD00008228

Molecular Weight

74.13 g/mol

XLogP3

-1.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

74.084398327 Da

Monoisotopic Mass

74.084398327 Da

Melting Point

10 °F

Boiling Point

275.9 °F at 738 mmHg

Flash Point

75 °F

GHS Hazard Statements

H226 (99.6%): Flammable liquid and vapor H302 (100%): Harmful if swallowed H310 (99.6%): Fatal in contact with skin H314 (99.6%): Causes severe skin burns and eye damage H317 (80.5%): May cause an allergic skin reaction H318 (80.9%): Causes serious eye damage H334 (80.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled

Hazard Classes and Categories

Flam. Liq. 3 (99.6%) Acute Tox. 4 (100%) Acute Tox. 1 (99.6%) Skin Corr. 1B (99.6%) Skin Sens. 1B (80.5%) Eye Dam. 1 (80.9%) Resp. Sens. 1 (80.5%)