Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O- InChIKey
ZYJPUMXJBDHSIF-LLVKDONJSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
Overview
N-Boc-D-phenylalanine is a D-phenylalanine derivative that is D-phenylalanine in which the amino group is replaced by a (tert-butoxycarbonyl)amino group. It is a tert-butyl ester and a D-phenylalanine derivative.
Names & identifiers
- Preferred name
- Boc-D-phenylalanine
- IUPAC
- (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
- English name
- D-Phenyl-ds-alanine-N-t-BOC
- Molecular formula
- C14H19NO4
- Molecular weight
- 265.31
Names & synonyms
Boc-D-phenylalanine18942-49-9DTXSID50348469n-tert-butoxycarbonyl-d-phenylalanineRefChem:569768DTXCID30299541606-177-6Boc-D-Phe-OHN-Boc-D-phenylalanineN-(tert-Butoxycarbonyl)-D-phenylalanineMFCD00063149(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
Show more names
D-Phenyl-ds-alanine-N-t-BOCBoc-D-Phenylalanine-2,3,4,5,6-d5D-Phenyl-D5-Alanine-N-T-Boc (Standard)
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acidd-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-(TERT-BUTOXYCARBONYL)-D-PHENYLALANINEtert-butyloxycarbonyl-d-phenylalanineN-tert-butyloxycarbonyl-D-phenylalanine(R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-PHENYLPROPANOIC ACIDN-alpha-tert-Butyloxycarbonyl-D-phenylalanineM03311
Database identifiers
- CAS
1213661-19-8- ChEBI
CHEBI:231572- EC Number
- 606-177-6
- Nikkaji
- J814.363C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- form
- Solid
- color
- White to off-white
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.
Warning
H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (40%)
Chemistry & industry
Applications
UsesD-Phenyl-d5-alanine-N-t-BOC (CAS# 1213661-19-8) is a useful isotopically labeled research compound.
Suppliers7 total
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
曼哈格（上海）生物科技有限公司400-818 0104 18918165978 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
Related reactions
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Linked notes
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