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100249-12-5 | Benzeneethanamine, N,N-bis(2-chloroethyl)-, hydrochloride (1:1)
CAS No: 100249-12-5 Catalog No: AG0001D9 MDL No:
Product Description
Catalog Number:
AG0001D9
Chemical Name:
Benzeneethanamine, N,N-bis(2-chloroethyl)-, hydrochloride (1:1)
CAS Number:
100249-12-5
Molecular Formula:
C12H18Cl3N
Molecular Weight:
282.6370
IUPAC Name:
N,N-bis(2-chloroethyl)-2-phenylethanamine;hydrochloride
InChI:
InChI=1S/C12H17Cl2N.ClH/c13-7-10-15(11-8-14)9-6-12-4-2-1-3-5-12;/h1-5H,6-11H2;1H
InChI Key:
KMOSAHPINLATIL-UHFFFAOYSA-N
SMILES:
ClCCN(CCc1ccccc1)CCCl.Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.633g/mol
Monoisotopic Mass:
281.05g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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