Chemical ID: 6693850

CC(CN(CC(C)O)N=O)O
Chemical ID:
6693850
Name [?]:
1-(2-hydroxypropyl-nitroso-amino)propan-2-ol
SMILES [?]:
CC(CN(CC(C)O)N=O)O
InChi [?]:
InChI=1/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,3,5,2,6,9,4,11,8,10/E:(1,2)(3,4)(5,6)(9,10)/rA:11cCCCNCCCONOO/rB:s1;s2;s3;s4;s5;s6;s6;s4;d9;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H14N2O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:2
ZAP Information [?]
Total:4.64363
Area:332.185
Solvation:-3.661
Coulombic:-36.3476
Bond Count [?]
All:10
Single:9
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:162.187
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.77
LogP (Chemaxon):-0.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue