Cadaverine dihydrochloride
Product Information
Molecular Formula
C5H16Cl2N2
Molecular Weight
175.10
Description
Cadaverine dihydrochloride (CAS# 1476-39-7) is a useful research chemical.
Synonyms
pentane-1,5-diamine;dihydrochloride
IUPAC Name
pentane-1,5-diamine;dihydrochloride
SMILES
C(CCN)CCN.Cl.Cl
InChI
InChI=1S/C5H14N2.2ClH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H
InChI Key
FGNLEIGUMSBZQP-UHFFFAOYSA-N
Boiling Point
179 °C at 760 mmHg
Melting Point
260-262 °C (lit.)
Purity
> 98.0 % (N)
Density
1.03 g/mL at 20 °C
Appearance
Beige powder
Storage
2-8 °C
LogP
3.07870
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
174.0690539 g/mol
Monoisotopic Mass
174.0690539 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
25.3
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes
