D,L-2-Aminotetralin-2-carboxylic acid

C₁₁H₁₃NO₂CAS 6331-63-1191.23 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₁₃NO₂
Molar mass: 191.23 g/mol
Exact mass: 191.0946 Da
logP: 0.96Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6331-63-1

SMILES

C1CC(CC2=CC=CC=C21)(C(=O)O)N

InChIKey

CDULPPOISZOUTK-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO2/c12-11(10(13)14)6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,12H2,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Aminotetralin-2-carboxylic acid

Work with D,L-2-Aminotetralin-2-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Aminoindan-2-carboxylic acid27473-62-778 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-848 % similar 3-Amino-1-benzylpyrrolidine-3-carboxylic acid145602-87-547 % similar 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-446 % similar 1-Amino-cyclobutanecarboxylic acid22264-16-046 % similar 1-Aminocyclobutanecarboxylic acid22264-50-246 % similar Cycloleucine52-52-846 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 (3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 4-(1-Pyrrolidinyl)benzoic acid22090-27-3 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 (R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9

Elsewhere

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