1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propane-1,2-diamine;dihydrochloride

2.1.2 InChI

InChI=1S/C3H10N2.2ClH/c1-3(5)2-4;;/h3H,2,4-5H2,1H3;2*1H

2.1.3 InChI Key

AEIAMRMQKCPGJR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CN)N.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Propane-1,2-diamine;dihydrochloride

2. 62063-19-8

3. (s)-(-)-diaminopropane Dihydrochloride

4. Schembl202468

5. 1,2-diaminopropane Dihydrochloride

6. Akos025243742

7. Sb35114

8. Sb35115

9. Ac-22047

10. Ft-0605121

11. Ft-0605293

12. (s)-(-)-1,2-propylenediaminedihydrochloride

13. A813938

14. Propane-1,2-diamine Dihydrochloride;(s)-1,2-diaminopropane 2hcl

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₃H₁₂Cl₂N₂
Molecular Weight	147.04 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	146.0377538 g/mol
Monoisotopic Mass	146.0377538 g/mol
Topological Polar Surface Area	52 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	20.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

CAS 62063-19-8