3-Amino-4,4,4-trifluorobutyric acid
Properties
- Molecular formula
- C4H6F3NO2
- Molar mass
- 157.09 g/mol
- Exact mass
- 157.0351 Da
- logP
- 0.35Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction93% of notifiers
- H318 Causes serious eye damage39.4% of notifiers
- H319 Causes serious eye irritation60.6% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
584-20-3SMILES
C(C(C(F)(F)F)N)C(=O)OInChIKey
XRXQOEWWPPJVII-UHFFFAOYSA-NInChI
InChI=1S/C4H6F3NO2/c5-4(6,7)2(8)1-3(9)10/h2H,1,8H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Amino-4,4,4-trifluorobutyric acid
Similar compounds
4,4,4-Trifluoro-3-methylbutanoic acid348-75-455 % similar
Ethyl 3-amino-4,4,4-trifluorobutyrate170804-18-947 % similar
β-Aminobutyric acid2835-82-745 % similar
(S)-3-Aminobutyric acid3775-72-245 % similar
(-)-3-Aminobutyric acid3775-73-345 % similar
β-Aminobutyric acid541-48-045 % similar
D-Aspartic acid1783-96-644 % similar
Polyaspartic acid25608-40-644 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.