Basic information
- CAS
878376-13-7- Standard SMILES
CC(C)(C)OC(=O)Nc1ncc(CN)s1- InChIKey
BJBOIRJERIUSFM-UHFFFAOYSA-N- Molecular formula
- C9H15N3O2S
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.0884979
Names & identifiers
- Preferred name
- tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate
- IUPAC
- tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate
- English name
- tert-butyl 5-(aMinoMethyl)thiazol-2-ylcarbaMate
- Molecular formula
- C9H15N3O2S
- Molecular weight
- 229.3
Names & synonyms
878376-13-7Tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamatetert-butyl N-(5-(aminomethyl)-1,3-thiazol-2-yl)carbamateRefChem:896186825-575-2tert-butyl (5-(aminomethyl)thiazol-2-yl)carbamatetert-Butyl 5-(aminomethyl)thiazol-2-ylcarbamateMFCD10698172SCHEMBL291704442-(Boc-amino)-5-aminomethylthiazoleAKOS025291056Carbamic acid, [5-(aminomethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester
Show more names
tert-butyl [5-(aminomethyl)-1,3-thiazol-2-yl]carbamate2-methyl-2-propanyl [5-(aminomethyl)-1,3-thiazol-2-yl]carbamateCarbamic acid, [5-(aminomethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester (9CI)
AB614595-(Aminomethyl)-N-Boc-thiazol-2-amineAS-34177SY098511DB-352757CS-0047955EN300-398746F467685
Database identifiers
- CAS
878376-13-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 4.79 · 4.79±0.70(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers26 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
甘肃德通医药化学技术有限公司18993961550 18993966060 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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