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1257535-33-3 | Benzenemethanamine, N-cyclopropyl-3,4-dimethyl-, hydrochloride (1:1)
CAS No: 1257535-33-3 Catalog No: AG000OM4 MDL No:MFCD17168269
Product Description
Catalog Number:
AG000OM4
Chemical Name:
Benzenemethanamine, N-cyclopropyl-3,4-dimethyl-, hydrochloride (1:1)
CAS Number:
1257535-33-3
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
MDL Number:
MFCD17168269
IUPAC Name:
N-[(3,4-dimethylphenyl)methyl]cyclopropanamine;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c1-9-3-4-11(7-10(9)2)8-13-12-5-6-12;/h3-4,7,12-13H,5-6,8H2,1-2H3;1H
InChI Key:
HSEWQKFQJMVCAE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)CNC1CC1.Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.733g/mol
Monoisotopic Mass:
211.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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