Basic information
- CAS
40469-85-0- Standard SMILES
CC(C)[C@@H](N)CC(=O)O- InChIKey
GLUJNGJDHCTUJY-YFKPBYRVSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Overview
(3S)-beta-leucine is the (3S)-beta-isomer of leucine. It is an enantiomer of a (3R)-beta-leucine.
Names & identifiers
- Preferred name
- (3S)-beta-leucine
- IUPAC
- (3S)-3-amino-4-methylpentanoic acid
- English name
- (S)-Homo-beta-valine
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
(3S)-3-amino-4-methylpentanoic acid(3S)-beta-leucineCHEBI:86261RefChem:1050306(s)-3-amino-4-methylpentanoic acid40469-85-0(s)-homo-beta-valine(S)-beta-Homovaline(s)-3-amino-4-methyl-pentanoic acidMFCD01076233b-leucinePentanoic acid, 3-amino-4-methyl-, (3S)-
Show more names
L-β-Hoval-OHD-beta-LeucineREF DUPL: (S)-beta-homovaline3-Amino-4-Mthylpentanoic acid14(S)-3-amino-4-Methylpentanoic acid
(3S)-3-amino-4-methyl-pentanoic acidH-beta-HoVal-OHSY064256(S)-homo-beta-valH-|A-HoVal-OHSCHEMBL61005GLUJNGJDHCTUJY-YFKPBYRVSA-Nbeta-2-Amino-4-methylvaleric acid
Database identifiers
- CAS
40469-85-0、5699-54-7- PubChem CID
- 439734
- ChEBI
CHEBI:86261- EC Number
- 676-196-2
- Nikkaji
- J353.122H
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
LogP0.778
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 202 · 202-210℃ (decomposition)
- Boiling point
- 232 · 232.0±23.0 °C(Predicted)
- Density
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.81 · 3.81±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
- InChIKey
- GLUJNGJDHCTUJY-YFKPBYRVSA-N
- SMILES
- C(O)(=O)C[C@H](N)C(C)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers65 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Related reactions
2 records
Compound notes
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