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1255099-40-1 | 1,4-Butanediamine, N1-[3-[(3-aminopropyl)amino]propyl]-, hydrochloride (1:1)
CAS No: 1255099-40-1 Catalog No: AG000NSI MDL No:MFCD17926313
Product Description
Catalog Number:
AG000NSI
Chemical Name:
1,4-Butanediamine, N1-[3-[(3-aminopropyl)amino]propyl]-, hydrochloride (1:1)
CAS Number:
1255099-40-1
Molecular Formula:
C10H27ClN4
Molecular Weight:
238.8012
MDL Number:
MFCD17926313
IUPAC Name:
N'-[3-(3-aminopropylamino)propyl]butane-1,4-diamine;hydrochloride
InChI:
InChI=1S/C10H26N4.ClH/c11-5-1-2-7-13-9-4-10-14-8-3-6-12;/h13-14H,1-12H2;1H
InChI Key:
WEULGTYYAQBICD-UHFFFAOYSA-N
SMILES:
NCCCNCCCNCCCCN.Cl
Properties
Complexity:
98.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.192g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
238.804g/mol
Monoisotopic Mass:
238.192g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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