Isonipecotic acid
Properties
- Molecular formula
- C6H11NO2
- Molar mass
- 129.16 g/mol
- Exact mass
- 129.0790 Da
- Melting point
- 336 °C
- logP
- 0.07Crippen estimate
- Polar surface area
- 49.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation98.7% of notifiers
- H319 Causes serious eye irritation98.7% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
498-94-2SMILES
O=C(O)C1CCNCC1InChIKey
SRJOCJYGOFTFLH-UHFFFAOYSA-NInChI
InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 4-Piperidinecarboxylic acid
- Hexahydroisonicotinic acid
- 4-Carboxypiperidine
- NSC 61049
- Isonipecotinic acid
- Piperidin-4-carboxylic acid
Work with Isonipecotic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3-Pyrrolidinecarboxylic acid59378-87-975 % similar
(S)-Pyrrolidine-3-carboxylic acid72580-53-175 % similar
(3R)-3-Pyrrolidinecarboxylic acid72580-54-275 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-767 % similar
Cyclopropanecarboxylic acid1759-53-167 % similar
1,4-Cyclohexanedicarboxylic acid619-81-867 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-967 % similar
Cyclopentanecarboxylic acid3400-45-161 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.