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Chemical ID: 4855991

Chemical ID:

4855991

Name [?]:

2-(4-aminobenzoyl)aminoethyl-triethyl-ammonium

SMILES [?]:

CC[N+](CC)(CC)CCNC(=O)c1ccc(cc1)N

InChi [?]:

InChI=1/C15H25N3O/c1-4-18(5-2,6-3)12-11-17-15(19)13-7-9-14(16)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H2-,16,17,19)/p+1

InChi Info:

AuxInfo=1/6/N:1,5,7,2,4,6,14,18,15,17,9,8,13,16,11,19,10,3,12/E:(1,2,3)(4,5,6)(7,8)(9,10)/CRV:18+1,19-1/rA:19nCCN+CCCCCCNCOCCCCCCN/rB:s1;s2;s3;s4;s3;s6;s3;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₆N₃O+
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	-16.2935
Area:	482.587
Solvation:	-28.3582
Coulombic:	-13.9544

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	264.387
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	0.46
LogP (Chemaxon):	-3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value