Basic information
- Standard SMILES
CCC(C)C(N)C(=O)OC- InChIKey
YXMMTUJDQTVJEN-WDSKDSINSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
Names & identifiers
- Preferred name
- Methyl 2-amino-3-methylpentanoate
- IUPAC
- methyl 2-amino-3-methylpentanoate
- English name
- (2S,3S)-2-Amino-3-methyl-pentanoic acidmethyl ester
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
Methyl 2-amino-3-methylpentanoate1943758-28-818869-44-8MFCD06655004(2R,3S)-2-Amino-3-methyl-pentanoic acid methyl estermethyl isoleucinatedl-isoleucine methyl esterAlloisoleucine, methyl esterSCHEMBL196353SCHEMBL6371678SCHEMBL7865250Methyl2-amino-3-methylpentanoate
Show more names
TIMTEC-BB SBB010304ISOLEUCINE METHYL ESTERASINEX-REAG BAS 16578643
methyl 2-amino-3-methyl-pentanoateBBL010092STK801449AKOS000118673AKOS016051427EB-0818SB31602DB-013085
Database identifiers
- CAS
1943758-28-8- PubChem CID
- 437686
- EC Number
- 109-405-8
- Nikkaji
- J2.607.824E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 Sens. 1 (100%)
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
ASINEX-REAG[email protected]
TIMTEC-BB[email protected]
MATRIX[email protected]
NARCHEM[email protected]
ASDI-INTER[email protected]
Related reactions
15 records
Linked notes
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