Basic information
- CAS
169556-48-3- Standard SMILES
CC(C)C(CO)NC(=O)OC(C)(C)C- InChIKey
OOQRRYDVICNJGC-UHFFFAOYSA-N- Molecular formula
- C10H21NO3
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.15214353
Names & identifiers
- Preferred name
- N-Boc-DL-valinol
- IUPAC
- tert-butyl N-(1-hydroxy-3-methylbutan-2-yl)carbamate
- English name
- N-BOC-D/L-VALINOL
- Molecular formula
- C10H21NO3
- Molecular weight
- 203.28
Names & synonyms
N-Boc-DL-valinol169556-48-3DTXSID60338033RefChem:363499DTXCID90289120tert-butyl N-(1-hydroxy-3-methylbutan-2-yl)carbamatetert-Butyl (1-hydroxy-3-methylbutan-2-yl)carbamateN-BOC-D/L-VALINOLMFCD01456557N-Boc-D-ValinoSB78203AS-32394
Show more names
Boc-DL-Valinol1-Boc-D/L-Valinoltert-Butyl (1-hydroxy-3-methylbutan-2-yl)Tert-Butyl N-(1-Hydroxy-3-Methylbutan-2- Yl)Carbamaterac-tert-butyl (1-hydroxy-3-methylbutan-2-yl)carbamate2-Methyl-2-propanyl (1-hydroxy-3-methyl-2-butanyl)carbamate(1-hydroxy-3-methylbutyl-2-yl)aminomacetic acidtertbutyl esterCarbamic acid, [1-(hydroxymethyl)-2-methylpropyl]-, 1,1-dimethylethyl ester
CS-0154974EN300-1768361,1-dimethylethyl [1-(hydroxymethyl)-2-methylpropyl]carbamoateBOC-D-VAL-OLSY030555BB 0263075SCHEMBL1809665OOQRRYDVICNJGC-UHFFFAOYSA-N
Database identifiers
- CAS
169556-48-3- PubChem CID
- 545981
- DTXSID
DTXSID60338033- Nikkaji
- J1.556.538A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 71 · 71-72 °C(Solvent: Ethyl acetate; Hexane)
- Boiling point
- 303.1 · 303.1±25.0 °C(Predicted)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.02 · 12.02±0.46(Predicted)
- Appearance
- White to off-white Solid
- Safety Statements
- 24 · 24/25
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
- safety_code
- 24/25
Chemistry & industry
Suppliers37 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广东易肽生物科技有限公司13482530519 13482530519 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[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]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
苏州艾缇克药物化学有限公司0512-68323967 18015559028 · [email protected]
Related reactions
9 records
Compound notes
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