Basic information
- CAS
284493-53-4- Standard SMILES
COc1cccc(C(CC(=O)O)NC(=O)OC(C)(C)C)c1- InChIKey
DNXONWHJJNOKEU-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- 3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid
- IUPAC
- 3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- 3-(BOC-AMINO)-3-(3-METHOXYPHENYL)PROPIONIC ACID
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
284493-53-43-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid3-(Boc-amino)-3-(3-methoxyphenyl)propionic acid3-[(tert-butoxycarbonyl)amino]-3-(3-methoxyphenyl)propanoic acidMFCD020906933-n-boc-3-(3-methoxyphenyl)propionic acid3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic AcidBoc-3-Amino-3-(3-methoxyphenyl)propionic acidBoc-(R)-3-amino-3-(3-methoxyphenyl)propionic acid3-{[(tert-butoxy)carbonyl]amino}-3-(3-methoxyphenyl)propanoic acid3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoicacid3-[(tert-butoxy)carbonylamino]-3-(3-methoxyphenyl)propanoic acid
Show more names
RARECHEM AK HT T256Boc-beta-Phe(3-Methoxy)-OH3-(Boc-Amino)-3-(3-MethoxyPhenyl)3-(BOC-AMINO)-3-(3-METHOXYPHENYL)PROPINIC ACID3-N-BOC-AMINO-3-(3-METHOXYPHENYL)PROPIONIC ACIDN-Boc-3-amino-3-(3-methoxyphenyl)propionic AcidBoc-(RS)-3-Amino-3-(3-methoxyphenyl)-propionic acid
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 81 · 81-83°C
- Boiling point
- 437.02 °C · 437.02°C (rough estimate)
- Density
- 1.1454 · 1.1454 (rough estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- InChI
- InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
- InChIKey
- DNXONWHJJNOKEU-UHFFFAOYSA-N
- SMILES
- C(CC(=O)O)(NC(=O)OC(C)(C)C)C1=CC=CC(OC)=C1
- CAS DataBase Reference
- 284493 · 284493-53-4(CAS DataBase Reference)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- 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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers48 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
上海腾准生物科技有限公司19821570922 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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