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100485-65-2 | Benzenemethanamine, 3-methyl-α-(1-methylethyl)-, (αR)-
CAS No: 100485-65-2 Catalog No: AG00023M MDL No:
Product Description
Catalog Number:
AG00023M
Chemical Name:
Benzenemethanamine, 3-methyl-α-(1-methylethyl)-, (αR)-
CAS Number:
100485-65-2
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
IUPAC Name:
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C11H17N.ClH/c1-8(2)11(12)10-6-4-5-9(3)7-10;/h4-8,11H,12H2,1-3H3;1H/t11-;/m1./s1
InChI Key:
XWKHGSNASSWQFO-RFVHGSKJSA-N
SMILES:
CC([C@H](c1cccc(c1)C)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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