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17542-47-1 | Benzenemethanamine, N-(2-chloroethyl)-N-methyl-
CAS No: 17542-47-1 Catalog No: AG0020ZE MDL No:MFCD14614471
Product Description
Catalog Number:
AG0020ZE
Chemical Name:
Benzenemethanamine, N-(2-chloroethyl)-N-methyl-
CAS Number:
17542-47-1
Molecular Formula:
C10H14ClN
Molecular Weight:
183.6779
MDL Number:
MFCD14614471
IUPAC Name:
N-benzyl-2-chloro-N-methylethanamine
InChI:
InChI=1S/C10H14ClN/c1-12(8-7-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChI Key:
JNTMWPCEVGHVML-UHFFFAOYSA-N
SMILES:
ClCCN(Cc1ccccc1)C
NSC Number:
44856
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.081g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.679g/mol
Monoisotopic Mass:
183.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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