3-AMINO-4-(METHYLOCTADECYLAMINO)BENZOIC ACID MONOHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H46N2O2.ClH
Molecular Weight	455.117
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-AMINO-4-(METHYLOCTADECYLAMINO)BENZOIC ACID MONOHYDROCHLORIDE

Structure Search

SMILES

Cl.CCCCCCCCCCCCCCCCCCN(C)C1=CC=C(C=C1N)C(O)=O

InChI

InChIKey=WWRSQXQQEFOZLH-UHFFFAOYSA-N

InChI=1S/C26H46N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28(2)25-20-19-23(26(29)30)22-24(25)27;/h19-20,22H,3-18,21,27H2,1-2H3,(H,29,30);1H

HIDE SMILES / InChI

Molecular Formula	C26H46N2O2
Molecular Weight	418.6556
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:01:35 GMT 2023` Edited by `admin` on `Sat Dec 16 12:01:35 GMT 2023`
Record UNII	0K34UYI3JN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-AMINO-4-(METHYLOCTADECYLAMINO)BENZOIC ACID MONOHYDROCHLORIDE

Systematic Name

English

BENZOIC ACID, 3-AMINO-4-(METHYLOCTADECYLAMINO)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

303-418-4