Basic information
- CAS
7303-49-3- Standard SMILES
COC(=O)C(N)Cc1c[nH]c2ccccc12- InChIKey
KCUNTYMNJVXYKZ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
Names & identifiers
- Preferred name
- Methyl DL-tryptophanate
- IUPAC
- methyl 2-amino-3-(1H-indol-3-yl)propanoate
- English name
- methyl tryptophan
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
DL-Tryptophan, methyl esterMethyl DL-tryptophanate5HG7KDN542RefChem:1089568Methyl 2-amino-3-(1H-indol-3-yl)propanoate7303-49-3methyl tryptophanateTryptophan methyl esterTryptophan, methyl esterMFCD00090478DL-TRYPTOPHAN METHYL ESTERtryptophan methylester
Show more names
ST5137886IDI1_007956BAS 00297580methyl tryptophanTRYPTOPHANMETHYLESTERrac Tryptophan methyl ester
DL-Tryptophan methylEnamine_005721Maybridge1_006748DL-Tryptophane methyl esterCBDivE_001180SCHEMBL1195735L-Tryptophan methyl ester, 14CHEMBL5189584
Database identifiers
- CAS
7303-49-3- PubChem CID
- 122205
- ChEMBL
CHEMBL5189584、CHEMBL55830- UNII
- 5HG7KDN542
- EC Number
- 118-859-6
- Nikkaji
- J1.485.654D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 90.1 · 90.1-90.4 °C(Solvent: Water)
- Boiling point
- 390.6 · 390.6±27.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 17.02 · 17.02±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers6 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
41 records
Compound notes
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