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100485-64-1 | Benzenemethanamine, 2-methyl-α-(1-methylethyl)-, (R)- (9CI)
CAS No: 100485-64-1 Catalog No: AG00023N MDL No:
Product Description
Catalog Number:
AG00023N
Chemical Name:
Benzenemethanamine, 2-methyl-α-(1-methylethyl)-, (R)- (9CI)
CAS Number:
100485-64-1
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
IUPAC Name:
(1R)-2-methyl-1-(2-methylphenyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C11H17N.ClH/c1-8(2)11(12)10-7-5-4-6-9(10)3;/h4-8,11H,12H2,1-3H3;1H/t11-;/m1./s1
InChI Key:
HTCVXLSPCQGFPQ-RFVHGSKJSA-N
SMILES:
CC([C@H](c1ccccc1C)N)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
199.113g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.722g/mol
Monoisotopic Mass:
199.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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