Basic information
- CAS
26117-20-4- Standard SMILES
CC(C)C[C@H](NC(N)=O)C(=O)O- InChIKey
JUIBQJHHPDRAGP-YFKPBYRVSA-N- Molecular formula
- C7H14N2O3
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.10044231
Names & identifiers
- Preferred name
- (2S)-2-(carbamoylamino)-4-methylpentanoic acid
- IUPAC
- (2S)-2-(carbamoylamino)-4-methylpentanoic acid
- English name
- CARBAMOYL-LEU-OH
- Molecular formula
- C7H14N2O3
- Molecular weight
- 174.2
Names & synonyms
(2S)-2-(carbamoylamino)-4-methylpentanoic acidRefChem:398155841-365-326117-20-4L-Leucine, N-(aminocarbonyl)-n-carbamoyl-l-leucine(S)-4-Methyl-2-ureidopentanoic acidN-Carbamyl-L-leucineCARBAMOYL-LEU-OHSCHEMBL1001704DTXSID70356768FD21928
Show more names
CARBAMOYL-LEUCINECARBAMOYL-L-LEUCINEL-4-METHYL-2-UREIDOPENTANOIC ACID
CS-0216396EN300-4207624
Database identifiers
- CAS
26117-20-4- PubChem CID
- 832265
- DTXSID
DTXSID70356768- EC Number
- 841-365-3
- Nikkaji
- J785.100F
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 217 °C · 217 °C
- Boiling point
- 321.894 · 321.894±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at RT.
- pka
- 3.9 · 3.900±0.21(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers6 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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