Basic information
- CAS
19228-91-2- Standard SMILES
CC(C)(C)OC(=O)Nc1ccsc1- InChIKey
PRWYQCYSADTIBZ-UHFFFAOYSA-N- Molecular formula
- C9H13NO2S
- Average molar mass
- 199.27 g/mol
- Monoisotopic mass
- 199.06669983
Names & identifiers
- Preferred name
- tert-butyl N-(thiophen-3-yl)carbamate
- IUPAC
- tert-butyl N-thiophen-3-ylcarbamate
- English name
- tert-Butyl N-(3-thienyl)carbamate
- Molecular formula
- C9H13NO2S
- Molecular weight
- 199.27
Names & synonyms
tert-butyl N-(thiophen-3-yl)carbamateRefChem:896391694-526-319228-91-2tert-Butyl thiophen-3-ylcarbamatetert-Butyl N-(3-thienyl)carbamateN-Boc-3-aminothiophenetert-butyl 3-thienylcarbamatetert-butyl N-thiophen-3-ylcarbamateMFCD01928808Carbamic acid, N-3-thienyl-, 1,1-dimethylethyl ester3-(tert-butoxycarbonylamino)thiophene
Show more names
N-Boc-3-aminothiophene 96%1,1-Dimethylethyl N-3-thienylcarbamate
(tert-butoxy)-N-(3-thienyl)carboxamide3-Aminothiophene, N-BOC protectedCarbamic acid, 3-thienyl-, 1,1-dimethylethyl estertert-Butyl thien-3-ylcarbamateorb3031104SCHEMBL1680647SCHEMBL2198371N-Boc-3-aminothiophene, 96%
Database identifiers
- CAS
19228-91-2- PubChem CID
- 736476
- DTXSID
DTXSID70353030- EC Number
- 694-526-3
- Nikkaji
- J462.289H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 238.1 · 238.1±13.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.7 · 13.70±0.70(Predicted)
- form
- wooly crystalline needles
- color
- Off white to faint lemon
- InChI
- 1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h4-6H,1-3H3,(H,10,11)
- InChIKey
- PRWYQCYSADTIBZ-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)Nc1ccsc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers60 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏药恒医药科技有限公司13524761129 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Related reactions
16 records
Compound notes
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