4-Amino-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

HCID 22111798CAS 184163-26-6

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(C(=O)O)c2c1CCCC2
InChIKey: XULBTYRZTZYIRG-UHFFFAOYSA-N
Molecular formula: C11H13NO2
Average molar mass: 191.23 g/mol
Monoisotopic mass: 191.09462866

Names & identifiers

Preferred name: 4-Amino-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
IUPAC: 4-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
English name: 1-Naphthalenecarboxylicacid,4-amino-5,6,7,8-tetrahydro-(9CI)
Molecular formula: C11H13NO2
Molecular weight: 191.22642

Names & synonyms

184163-26-64-Amino-5,6,7,8-tetrahydronaphthalene-1-carboxylic acidDTXSID00622504RefChem:289963DTXCID90573258825-236-91-Naphthalenecarboxylicacid,4-amino-5,6,7,8-tetrahydro-(9CI)XULBTYRZTZYIRG-UHFFFAOYSA-NSCHEMBL7975490JHA16326DB-268345EN300-2007747

Show more names

4-Amino-5,6,7,8-tetrahydronaphthalene-1-carboxylicacidZ12625192921-Naphthalenecarboxylic acid, 4-amino-5,6,7,8-tetrahydro-4-Amino-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid

Database identifiers

CAS: 184163-26-6
PubChem CID: 22111798
DTXSID: DTXSID00622504
EC Number: 825-236-9

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 229

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H312-H332-H302-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H312-H332-H302-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312