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1,2-Diaminopropane
CAS: 78-90-0 | C3H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-90-0
Molecular Formula:
C3H10N2
Molecular Weight:
74.127 g/mol
Names and Synonyms:
1,2-Diaminopropane
Common Name
N,N′-Dimethyl-1,2-diaminopropane
Synonym
NSC 175731
Synonym
(RS)-1,2-Propanediamine
Synonym
(±)-1,2-Diaminopropane
Synonym
DL-1,2-Propanediamine
Synonym
dl-1,2-Propylenediamine
Synonym
1-Methyl-1,2-diaminoethane
Synonym
2,3-Diaminopropane
Synonym
1,2-Propylenediamine
Synonym
Propylenediamine
Synonym
1,2-Diaminopropane
Synonym
1,2-Propanediamine
Synonym
Identifiers:
SMILES:
CC(N)CN
InChI:
InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 74.13 g/mol | Legacy Database |
density | 0.90 g/cm³ | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/1,2-Diaminopropane None | Legacy Database |
cas-boiling-point | 117 °C None | Legacy Database |
cas-canonical-smile | NCC(N)C None | Legacy Database |
cas-density | 0.9 g/cm3 None | Legacy Database |
cas-inchi | InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 None | Legacy Database |
cas-inchi-key | InChIKey=AOHJOMMDDJHIJH-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | -17 °C None | Legacy Database |
cas-name | Propylenediamine None | Legacy Database |
wikipedia-name | 1,2-Diaminopropane None | Legacy Database |
LogP | -0.7077 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 74.127 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 74.08439831999999 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 5 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 52.04 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 22.703800000000005 | RDKit |