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115555-77-6 | 1-Butanamine, N-butyl-N-(3-chloropropyl)-, hydrochloride (1:1)
CAS No: 115555-77-6 Catalog No: AG000G53 MDL No:MFCD02259383
Product Description
Catalog Number:
AG000G53
Chemical Name:
1-Butanamine, N-butyl-N-(3-chloropropyl)-, hydrochloride (1:1)
CAS Number:
115555-77-6
Molecular Formula:
C11H25Cl2N
Molecular Weight:
242.2289
MDL Number:
MFCD02259383
IUPAC Name:
N-butyl-N-(3-chloropropyl)butan-1-amine;hydrochloride
InChI:
InChI=1S/C11H24ClN.ClH/c1-3-5-9-13(10-6-4-2)11-7-8-12;/h3-11H2,1-2H3;1H
InChI Key:
UURRECHSOADBEG-UHFFFAOYSA-N
SMILES:
CCCCN(CCCCl)CCCC.Cl
EC Number:
601-371-7
Properties
Complexity:
88.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.228g/mol
Monoisotopic Mass:
241.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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