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87861-38-9 | Benzenemethanamine, a-methyl-N-(1-methylethyl)-, (aR)-
CAS No: 87861-38-9 Catalog No: AG01FN1N MDL No:MFCD01862156
Product Description
Catalog Number:
AG01FN1N
Chemical Name:
Benzenemethanamine, a-methyl-N-(1-methylethyl)-, (aR)-
CAS Number:
87861-38-9
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
MDL Number:
MFCD01862156
IUPAC Name:
N-[(1R)-1-phenylethyl]propan-2-amine
InChI:
InChI=1S/C11H17N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t10-/m1/s1
InChI Key:
QFUIZDLZUZDWJH-SNVBAGLBSA-N
SMILES:
C[C@H](c1ccccc1)NC(C)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Rearrangement of lithiated S-alkyl O,O-dialkyl thiophosphates: scope and stereochemistry of the thiophosphate-mercaptophosphonate rearrangement. | Organic & biomolecular chemistry 20110721 |
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