Catalog Number |
ACM107885676 |
CAS |
107885-67-6 |
Structure |
|
IUPAC Name |
(3S)-azepan-3-amine |
Synonyms |
(S)-Azepan-3-amine;107885-67-6;(3S)-azepan-3-amine;(S)azepan-3-amine;(R)-3-AMINO-HEXAHYDROAZEPINE;1H-Azepin-3-amine, hexahydro-, (3S)-;(S)-Azepan-3-ylamine;(S);-Azepan-3-amine;(S)-Azepan-3-amine diHCl;SCHEMBL1563759;DTXSID30428011;ANW-53145;MFCD00067111;ZINC38337176;(3S)-Hexahydro-1H-azepine-3-amine;AKOS006337460;SB12844;AB0072499 |
Molecular Weight |
114.19g/mol |
Molecular Formula |
C6H14N2 |
Canonical SMILES |
C1CCNCC(C1)N |
InChI |
InChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2/t6-/m0/s1 |
InChI Key |
WJUBYASTGWKFHK-LURJTMIESA-N |
Complexity |
63.5 |
Covalently-Bonded Unit Count |
1 |
Exact Mass |
114.115698455g/mol |
Heavy Atom Count |
8 |
Hydrogen Bond Acceptor Count |
2 |
Monoisotopic Mass |
114.115698455g/mol |
Rotatable Bond Count |
0 |
Topological Polar Surface Area |
38Ų |
X Log P3 |
-0.2 |