Chemical ID: 4956802

C[N+](C)(C)CC(CC#N)O
Chemical ID:
4956802
Name [?]:
(3-cyano-2-hydroxy-propyl)-trimethyl-ammonium
SMILES [?]:
C[N+](C)(C)CC(CC#N)O
InChi [?]:
InChI=1/C7H15N2O/c1-9(2,3)6-7(10)4-5-8/h7,10H,4,6H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,5,6,9,2,10/E:(1,2,3)/CRV:9+1/rA:10cCN+CCCCCCNO/rB:s1;s2;s2;s2;s5;s6;s7;t8;s6;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H15N2O+
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:-25.134
Area:316.104
Solvation:-33.0366
Coulombic:9.55661
Bond Count [?]
All:9
Single:8
Double:0
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:143.207
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-2.23
LogP (Chemaxon):-4.73

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Descriptor Annotations

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