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1289585-18-7 | 3-Pyrrolidinamine, N-[(4-methylphenyl)methyl]-, hydrochloride (1:1), (3S)-
CAS No: 1289585-18-7 Catalog No: AG000YP6 MDL No:MFCD18837570
Product Description
Catalog Number:
AG000YP6
Chemical Name:
3-Pyrrolidinamine, N-[(4-methylphenyl)methyl]-, hydrochloride (1:1), (3S)-
CAS Number:
1289585-18-7
Molecular Formula:
C12H19ClN2
Molecular Weight:
226.7457
MDL Number:
MFCD18837570
IUPAC Name:
(3S)-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
InChI:
InChI=1S/C12H18N2.ClH/c1-10-2-4-11(5-3-10)8-14-12-6-7-13-9-12;/h2-5,12-14H,6-9H2,1H3;1H/t12-;/m0./s1
InChI Key:
MOXMHTMAELLWEL-YDALLXLXSA-N
SMILES:
Cc1ccc(cc1)CN[C@@H]1CNCC1.Cl
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
226.124g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.748g/mol
Monoisotopic Mass:
226.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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