Basic information
- CAS
71404-98-3- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)O- InChIKey
NMRCVEILBKVWIK-YFKPBYRVSA-N- Molecular formula
- C8H14ClNO4
- Average molar mass
- 223.65 g/mol
- Monoisotopic mass
- 223.06113561
Names & identifiers
- Preferred name
- Boc-beta-chloro-ala-oh
- IUPAC
- (2R)-3-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- Boc-beta-chloro-Ala-OH
- Molecular formula
- C8H14ClNO4
- Molecular weight
- 223.65
Names & synonyms
71404-98-3boc-beta-chloro-ala-ohDTXSID90427282RefChem:330010DTXCID60378116(R)-2-((tert-Butoxycarbonyl)amino)-3-chloropropanoic acidMFCD00672318C8H14ClNO4boc-beta-chloro-alanineBoc-Ala(3-Cl)-OH(2R)-3-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidN-(tert-butoxycarbonyl)-3-chloro-L-alanine
Show more names
Boc-β-Cl-L-Ala-OHBoc-b-Chloro-Ala-OHBoc-β-chloro-Ala-OHBoc-β-chloro-L-Ala-OHBoc-β-chloro-L-alanine
Boc-beta-chloro-L-alanineBOC-3-CHLORO-L-ALANINEBoc--chloro-Ala-OHBoc-|A-Cl-Ala-OHBOC-L-ALA(3-CL)N-Boc-|A-chloro-L-alanineBOC-ALA(BETA-CL)-OHSCHEMBL269253
Database identifiers
- CAS
71404-98-3- PubChem CID
- 7020770
- DTXSID
DTXSID90427282
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 340.9 · 340.9±32.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.23 · 3.23±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers39 total
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
凯试(上海)科技有限公司
Related reactions
9 records
Compound notes
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