Basic information
- CAS
1596-65-2- Standard SMILES
NC(Cc1nccs1)C(=O)O- InChIKey
PXFXXRSFSGRBRT-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2S
- Average molar mass
- 172.21 g/mol
- Monoisotopic mass
- 172.0306485
Names & identifiers
- Preferred name
- beta-(2-Thiazolyl)-DL-alanine
- IUPAC
- 2-amino-3-(1,3-thiazol-2-yl)propanoic acid
- English name
- beta-(2-Thiazolyl)-DL-alanine
- Molecular formula
- C6H8N2O2S
- Molecular weight
- 172.2
Names & synonyms
beta-(2-Thiazolyl)-DL-alanineDTXSID90405545RefChem:1079565DTXCID603563981596-65-22-Amino-3-(thiazol-2-yl)propanoic acid2-amino-3-(1,3-thiazol-2-yl)propanoic AcidMFCD00011560b-(2-thiazolyl)-dl-alanineH-DL-Ala(2-thiazolyl)-OHH-beta-(2-Thiazolyl)-Ala-OH2-Thiazolepropanoic acid, alpha-amino-
Show more names
H-DL-ALA(2-THZ)-OHβ-(2-Thiazolyl)-DL-alanineH-b-(2-Thiazolyl)-DL-Ala-OHBETA-(2-THIAZOYL)-DL-ALANINEH-BETA-(2-THIAZOLYL)-DL-ALA-OH
DL-Ala(2-thiazolyl)-OH|A-(2-Thiazolyl)-DL-alanine(+/-)-2-Amino-3-(2-thiazolyl)propionic acid2-Methylpyridine borane complex solution; Borane, compd. with 2-Methylpyridine; Borane, compd. with 2-picoline (1:1); 2-Picoline-borane; Pic-BH3; alpha-Picoline-borane AdductH-DL-Ala(2-3-(2-thiazolyl)-dl-alanineSCHEMBL4569493-(1,3-Thiazol-2-yl)alanine
Database identifiers
- CAS
1596-65-2- PubChem CID
- 4684973
- DTXSID
DTXSID90405545- EC Number
- 633-915-4
- Nikkaji
- J1.962.419F
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 202 · 202-204 °C(lit.)
- Boiling point
- 339.9 · 339.9±37.0 °C(Predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 1.7 · 1.70±0.10(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- -5.9 ° · -5.9°(C=1.00g/100ml ETOH)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usesbeta-(2-Thiazolyl)-DL-alanine exhibits an allosteric inhibition of the first enzyme of histidine metabolism.
Upstream & downstream products
Upstream raw materials
Suppliers38 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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