CAS 22032-65-1 Methyl D-Tryptophanate (HCID 168016)

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Basic information

CAS: 22032-65-1
Standard SMILES: COC(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIKey: KCUNTYMNJVXYKZ-SNVBAGLBSA-N
Molecular formula: C12H14N2O2
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.10552769

Names & identifiers

Preferred name: Methyl D-Tryptophanate
IUPAC: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
English name: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
Molecular formula: C12H14N2O2
Molecular weight: 218.25

Names & synonyms

methyl d-tryptophanateRefChem:817706988-732-522032-65-1(R)-methyl 2-amino-3-(1H-indol-3-yl)propanoateD-TRYPTOPHAN METHYL ESTERmethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoateD-Tryptophan, methyl esterMFCD08669786SCHEMBL475267AKOS030213046AB10082

Show more names

(R)-Tryptophan methyl ester(R)-2-Amino-3-(1H-indol-3-yl)propionic acid methyl ester

BS-50069CS-0150948EN300-118149H-D-Trp-OMeAY74WR2BWFD-tryptophane methyl esterTryptophan, methyl ester, D-SCHEMBL30180690

Database identifiers

CAS: 22032-65-1
PubChem CID: 168016
UNII: AY74WR2BWF
EC Number: 988-732-5
Nikkaji: J674.423K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 68.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 257

Physicochemical properties

Density: 1.245 · 1.245
storage temp.: Store at room temperature
Appearance: Off-white to light yellow Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.