N-Boc-DL-phenylalaninol

HCID 545866

Notes Reactions

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Basic information

CAS: 145149-48-0
Standard SMILES: CC(C)(C)OC(=O)NC(CO)Cc1ccccc1
InChIKey: LDKDMDVMMCXTMO-UHFFFAOYSA-N
Molecular formula: C14H21NO3
Average molar mass: 251.32 g/mol
Monoisotopic mass: 251.15214353

Names & identifiers

Preferred name: N-Boc-DL-phenylalaninol
IUPAC: tert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate
English name: N-BOC-D/L-PHENYLALANINOL
Molecular formula: C14H21NO3
Molecular weight: 251.32

Names & synonyms

N-Boc-DL-phenylalaninol145149-48-0DTXSID90338006RefChem:363498DTXCID80289093tert-Butyl (1-hydroxy-3-phenylpropan-2-yl)carbamateN-(tert-Butoxycarbonyl)-DL-phenylalaninoltert-butyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamateMFCD01457313BOC-DL-PhenylalaninolN-Boc-D/L-phenylalaninoltert-butyl N-(1-benzyl-2-hydroxy-ethyl)carbamate

Show more names

AKOS 915281-Boc-D/L-PhenylalaninolN-Boc-DL-phenylalaninol,96%N-BOC-D/L-PHENYLALANINOL USP/EP/BPN-(tert-Butoxycarbonyl)-DL-phenylalaninol >tert-butyl N-(1-benzyl-2-hydroxy-ethyl)carbamate

SCHEMBL1529562AKOS000280655AKOS016344675CS-W002775AC-24152AS-19003PD196062SY006461

Database identifiers

CAS: 145149-48-0
PubChem CID: 545866
DTXSID: DTXSID90338006
Nikkaji: J1.496.102J

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 254

Physicochemical properties

Melting point: 85 to · 85.0 to 90.0 °C
Boiling point: 410.1 · 410.1±38.0 °C(Predicted)
Density: 1.085 · 1.085±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 12.07 · 12.07±0.46(Predicted)
color: White to Almost white
CAS DataBase Reference: 145149 · 145149-48-0
Symbol(GHS): 5 · GHS05,GHS09
Signal word: Warning
Hazard statements: 318 · H318-H410
Precautionary statements: 280 · P280-P305+P351+P338-P310-P403-P501c
Safety Statements: 24 · 24/25
HS Code: 2924.19 · 2924.19.8000

Safety & regulation

Safety data

hs_code: 2924.19.8000
Signal word: Warning
Symbol(GHS): GHS05,GHS09
safety_code: 24/25
Hazard statements: H318-H410
Precautionary statements: P280-P305+P351+P338-P310-P403-P501c

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers84 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

14 records

New reaction record

HRID 125968As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 170995As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 177598As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 302252As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 306235As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 312841As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 313430As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 695433As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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