CC(C(CCCCCC(=O)O)N)N
CAS: 21738-21-6
Name: 7,8-diaminononanoic acid
SMILES: CC(C(CCCCCC(=O)O)N)N

Molecular Processing

Molecular formula
C9H20N2O2
Molecular weight
188.27
Exact mass
188.1525
XLogP
0.7
TPSA
89.34
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
52.35

Supplementary Information

InChIKey: KCEGBPIYGIWCDH-UHFFFAOYSA-N
Synonyme
7,8-Diaminononanoic acid7,8-Diaminopelargonic acid21738-21-67,8-DAPA7,8-DAPCHEBI:2247DTXSID20944351RefChem:105555DTXCID709645447,8-diaminopelargonate7,8-DiaminononanoicacidSCHEMBL303720KCEGBPIYGIWCDH-UHFFFAOYSA-NLMFA01100062AKOS006283697PD042928C01037EN300-306156Q117516287,8-DAP;7,8-DAPA;7,8-Diaminononanoate;7,8-diaminopelargonic acid;DAP;DAPA
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