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74807-99-1 | 1-Heptyn-3-amine, (S)-
CAS No: 74807-99-1 Catalog No: AG00598F MDL No:
Product Description
Catalog Number:
AG00598F
Chemical Name:
1-Heptyn-3-amine, (S)-
CAS Number:
74807-99-1
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
IUPAC Name:
(3S)-hept-1-yn-3-amine
InChI:
InChI=1S/C7H13N/c1-3-5-6-7(8)4-2/h2,7H,3,5-6,8H2,1H3/t7-/m1/s1
InChI Key:
MTETYYPVLVNZCA-SSDOTTSWSA-N
SMILES:
CCCC[C@@H](C#C)N
Properties
Complexity:
87.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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