(R)-3-Amino-4,4-dimethylpentanoic acid
Basic information
- CAS
367278-48-6- Standard SMILES
CC(C)(C)[C@H](N)CC(=O)O- InChIKey
MIMSUZKTGRXZNZ-RXMQYKEDSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- (R)-3-Amino-4,4-dimethylpentanoic acid
- IUPAC
- (3R)-3-amino-4,4-dimethylpentanoic acid
- English name
- (S)-3-tert-Butyl-beta-alanine
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
367278-49-7(R)-3-amino-4,4-dimethylpentanoic acidRefChem:210896(r)-3-t-butyl-beta-alanine(3R)-3-AMINO-4,4-DIMETHYLPENTANOIC ACIDMFCD07784062(R)-3-Amino-4,4-dimethyl-pentanoic acidPentanoic acid, 3-amino-4,4-dimethyl-, (3R)-(3R)-3-azaniumyl-4,4-dimethyl-pentanoate(3R)-3-amino-4,4-dimethyl-pentanoic acid(R)-3-t-Butyl- -alanineSCHEMBL288806
Show more names
(S)-3-t-Butyl--alanine(S)-3-t-Butyl-β-alanine(S)-3-TERT-BUTYL-BETA-ALANINE(S)-3-TERT-BUTYL-BETA-ALANINE USP/EP/BP(3S)-3-amino-4,4-dimethylpentanoic acidPentanoic acid, 3-amino-4,4-dimethyl-, (3S)-(S)-2-(AMinoMethyl)-3,3-diMethylbutanoic acid
(R)-3-tert-Butyl-beta-alanineH-(R)-|A-3-tBu-Ala-OHMIMSUZKTGRXZNZ-RXMQYKEDSA-N(3R)-3-amino-4,4-dimethyl-pDTXSID801283299AKOS025312496(R)-3-amino-4,4-dimethylpentanoicacidAS-37045
Database identifiers
- CAS
367278-48-6、367278-49-7- PubChem CID
- 7010080
- DTXSID
DTXSID801283299- EC Number
- 674-669-8、676-222-2
- Nikkaji
- J1.561.587G
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 241.6 · 241.6±23.0 °C(Predicted)
- Density
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- pka
- 3.81 · 3.81±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
6 records
Compound notes
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