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1217445-86-7 | Benzenemethanamine, 4-amino-α-propyl-, (αS)-
CAS No: 1217445-86-7 Catalog No: AG0015NV MDL No:
Product Description
Catalog Number:
AG0015NV
Chemical Name:
Benzenemethanamine, 4-amino-α-propyl-, (αS)-
CAS Number:
1217445-86-7
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
IUPAC Name:
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
InChI:
InChI=1S/C10H16N2.2ClH/c1-2-3-10(12)8-4-6-9(11)7-5-8;;/h4-7,10H,2-3,11-12H2,1H3;2*1H/t10-;;/m0../s1
InChI Key:
HLDLSXZPUTVAJY-XRIOVQLTSA-N
SMILES:
CCC[C@@H](c1ccc(cc1)N)N
Properties
Complexity:
117
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:
4
Isotope Atom Count:
0
Molecular Weight:
237.168g/mol
Monoisotopic Mass:
236.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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