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189340-78-1 | 1,4-Butanediamine, N1-(4-aminobutyl)-, hydrochloride (1:3)
CAS No: 189340-78-1 Catalog No: AG002IBZ MDL No:
Product Description
Catalog Number:
AG002IBZ
Chemical Name:
1,4-Butanediamine, N1-(4-aminobutyl)-, hydrochloride (1:3)
CAS Number:
189340-78-1
Molecular Formula:
C8H24Cl3N3
Molecular Weight:
268.6553
IUPAC Name:
N'-(4-aminobutyl)butane-1,4-diamine;trihydrochloride
InChI:
InChI=1S/C8H21N3.3ClH/c9-5-1-3-7-11-8-4-2-6-10;;;/h11H,1-10H2;3*1H
InChI Key:
ASPPINREBNQPGP-UHFFFAOYSA-N
SMILES:
NCCCCNCCCCN.Cl.Cl.Cl
Properties
Complexity:
58.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
268.651g/mol
Monoisotopic Mass:
267.104g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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