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317830-29-8 | (S)-3-(1-Aminoethyl)aniline
CAS No: 317830-29-8 Catalog No: AG003CIP MDL No:MFCD06761850
Product Description
Catalog Number:
AG003CIP
Chemical Name:
(S)-3-(1-Aminoethyl)aniline
CAS Number:
317830-29-8
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
MDL Number:
MFCD06761850
IUPAC Name:
3-[(1S)-1-aminoethyl]aniline
InChI:
InChI=1S/C8H12N2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,9-10H2,1H3/t6-/m0/s1
InChI Key:
MBWYRMCXWROJMP-LURJTMIESA-N
SMILES:
Nc1cccc(c1)[C@@H](N)C
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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