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101914-02-7 | 1-Heptanamine, N,N-bis(2-chloroethyl)-, hydrochloride (1:1)
CAS No: 101914-02-7 Catalog No: AG0005YK MDL No:
Product Description
Catalog Number:
AG0005YK
Chemical Name:
1-Heptanamine, N,N-bis(2-chloroethyl)-, hydrochloride (1:1)
CAS Number:
101914-02-7
Molecular Formula:
C11H24Cl3N
Molecular Weight:
276.6740
IUPAC Name:
bis(2-chloroethyl)-heptylazanium;chloride
InChI:
InChI=1S/C11H23Cl2N.ClH/c1-2-3-4-5-6-9-14(10-7-12)11-8-13;/h2-11H2,1H3;1H
InChI Key:
KSFBNIQZTDUVKE-UHFFFAOYSA-N
SMILES:
CCCCCCCN(CCCl)CCCl.Cl
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.67g/mol
Monoisotopic Mass:
275.097g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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