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74808-01-8 | 1-Heptyn-3-amine, 3-methyl-, (S)-
CAS No: 74808-01-8 Catalog No: AG005GY3 MDL No:
Product Description
Catalog Number:
AG005GY3
Chemical Name:
1-Heptyn-3-amine, 3-methyl-, (S)-
CAS Number:
74808-01-8
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
IUPAC Name:
(3S)-3-methylhept-1-yn-3-amine
InChI:
InChI=1S/C8H15N/c1-4-6-7-8(3,9)5-2/h2H,4,6-7,9H2,1,3H3/t8-/m1/s1
InChI Key:
JWMHLPABPVLWNT-MRVPVSSYSA-N
SMILES:
C[C@@](C#C)(CCCC)N
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
125.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.215g/mol
Monoisotopic Mass:
125.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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