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1019506-85-4 | Benzenemethanamine, N-(cyclopropylmethyl)-3-methoxy-
CAS No: 1019506-85-4 Catalog No: AG00061J MDL No:MFCD11140267
Product Description
Catalog Number:
AG00061J
Chemical Name:
Benzenemethanamine, N-(cyclopropylmethyl)-3-methoxy-
CAS Number:
1019506-85-4
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD11140267
IUPAC Name:
1-cyclopropyl-N-[(3-methoxyphenyl)methyl]methanamine
InChI:
InChI=1S/C12H17NO/c1-14-12-4-2-3-11(7-12)9-13-8-10-5-6-10/h2-4,7,10,13H,5-6,8-9H2,1H3
InChI Key:
FQSWYNHNVHVTHY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CNCC1CC1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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