L-tryptophan benzyl ester hydrochloride

HCID 45073232

Notes Reactions

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Basic information

CAS: 35858-81-2
Standard SMILES: Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
InChIKey: DOKDMGOWZOTZRA-NTISSMGPSA-N
Molecular formula: C18H19ClN2O2
Average molar mass: 330.8 g/mol
Monoisotopic mass: 330.1135055

Names & identifiers

Preferred name: L-tryptophan benzyl ester hydrochloride
IUPAC: benzyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
English name: Benzyl L-tryptophanate hydrochloride
Molecular formula: C18H19ClN2O2
Molecular weight: 330.81

Names & synonyms

35858-81-2H-Trp-OBzl.HClL-tryptophan benzyl ester hydrochlorideH-TRP-OBZL HCLMFCD00058122H-Trp-OBzl hydrochlorideBenzyl L-Tryptophanate HydrochlorideL-Tryptophan benzyl ester HClBenzyl L-tryptophanate monohydrochloridebenzyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate hydrochlorideL-Tryptophan, phenylmethyl ester, monohydrochlorideBenzyl L-tryptophanate HCl

Show more names

Nsc202376TRP-OBZLCLTrp-OBzl·HClH-Trp-OBzl¤HCH-TRP-OBZL·HCLL-Trp-OBzl·HClBenzyl L-tryptophana

EINECS 252-765-7H-Trp-OBzl . HClTRYPTOPHAN-OBZL HCLH-L-Trp-OBzl hydrochlorideH-Trp-OBzl inverted exclamation mark currencyHClorb3173885SCHEMBL3950971SCHEMBL29401116

Database identifiers

CAS: 35858-81-2
PubChem CID: 45073232
EC Number: 252-765-7

Properties

Computed structural properties

Topological polar surface area: 68.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 368

Physicochemical properties

Melting point: 222 °C · 222 °C(Solv: water (7732-18-5))
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Soluble in methanol (50 mg/mL in MeOH).
form: Powder
color: White
CAS DataBase Reference: 35858 · 35858-81-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22

Safety & regulation

Safety data

risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesL-Tryptophan Benzyl Ester Hydrochloride, can be used in chemical biology and drug discovery and preparation of small molecule inhibitors that target protein-protein interaction in the RAD51 Family of Recombinases.