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1217471-79-8 | Benzenemethanamine, 3-(dimethylamino)-α-methyl-, (αS)-
CAS No: 1217471-79-8 Catalog No: AG0015Q6 MDL No:
Product Description
Catalog Number:
AG0015Q6
Chemical Name:
Benzenemethanamine, 3-(dimethylamino)-α-methyl-, (αS)-
CAS Number:
1217471-79-8
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
IUPAC Name:
3-[(1S)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
InChI:
InChI=1S/C10H16N2.2ClH/c1-8(11)9-5-4-6-10(7-9)12(2)3;;/h4-8H,11H2,1-3H3;2*1H/t8-;;/m0../s1
InChI Key:
CPXYJZKBXLNXSC-JZGIKJSDSA-N
SMILES:
C[C@@H](c1cccc(c1)N(C)C)N
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
236.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.168g/mol
Monoisotopic Mass:
236.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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