Basic information
- Name:
L-Tryptophan,phenylmethyl ester, hydrochloride (1:1)
- Superlist Name:
- Benzyl L-tryptophanate hydrochloride
- CAS No.:
35858-81-2
- Molecular Structure:
- Formula:
- C18H18N2O2.HCl
- Molecular Weight:
- 330.81
- Synonyms:
- L-Tryptophan,phenylmethyl ester, monohydrochloride (9CI);L-Tryptophan benzyl ester hydrochloride;NSC 219866;Tryptophan benzyl ester monohydrochloride;H-Trp-OBzl·HCl;
- EINECS:
- 252-765-7
- Boiling Point:
- 489.9 °C at 760 mmHg
- Flash Point:
- 250.1 °C
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Chemistry
Molecule structure of L-Tryptophan,phenylmethyl ester, hydrochloride (1:1) (CAS NO.35858-81-2):
IUPAC Name: Benzyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
Molecular Weight: 330.80866 [g/mol]
Molecular Formula: C18H19ClN2O2
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 330.113506
MonoIsotopic Mass: 330.113506
Topological Polar Surface Area: 68.1
Storage temp.: 2-8°C
Heavy Atom Count: 23
Flash Point: 250.1 °C
Enthalpy of Vaporization: 75.63 kJ/mol
Boiling Point: 489.9 °C at 760 mmHg
Vapour Pressure: 9.59E-10 mmHg at 25°C
Canonical SMILES: C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N.Cl
InChI: InChI=1S/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H
InChIKey: DOKDMGOWZOTZRA-UHFFFAOYSA-N
EINECS: 252-765-7
Product Categories of L-Tryptophan,phenylmethyl ester, hydrochloride (1:1) (CAS NO.35858-81-2): Amino hydrochloride
Specification
L-Tryptophan,phenylmethyl ester, hydrochloride (1:1) (CAS NO.35858-81-2) is also called Benzyl L-tryptophanate HCl ; Benzyl L-tryptophanate monohydrochloride ; L-Tryptophan benzyl ester hydrochloride ; H-Trp-OBzl HCl ; (2S)-1-(benzyloxy)-3-(1H-indol-3-yl)-1-oxopropan-2-aminium chloride .