Basic information
- CAS
201338-62-7- Standard SMILES
C=C(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
XTHKWMJJDXMJHI-UHFFFAOYSA-N- Molecular formula
- C14H23NO6
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.15253745
Names & identifiers
- Preferred name
- Methyl 2-(bis((tert-butoxy)carbonyl)amino)prop-2-enoate
- IUPAC
- methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
- English name
- METHYL 2-(BIS[(TERT-BUTOXY)CARBONYL]AMINO)PROP-2-ENOATE(WXG03125)
- Molecular formula
- C14H23NO6
- Molecular weight
- 301.34
Names & synonyms
201338-62-7methyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoateMETHYL 2-(BIS[(TERT-BUTOXY)CARBONYL]AMINO)PROP-2-ENOATEMethyl 2-(bis((tert-butoxy)carbonyl)amino)prop-2-enoateRefChem:813642856-680-1Methyl 2-(bis(tertbutoxycarbonyl)amino)acrylateMethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoateMFCD11975773METHYL 2-(BIS(TERT-BUTOXYCARBONYL)AMINO)ACRYLATE2-[Bis[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester-2-Propenoic acidmethyl 2-[bis(tert-butoxycarbonyl)amino]acrylate
Show more names
METHYL 2-(BIS[(TERT-BUTOXY)CARBONYL]AMINO)PROP-2-ENOATE(WXG03125)2-Propenoic acid, 2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
SCHEMBL626905XTHKWMJJDXMJHI-UHFFFAOYSA-NMethyl 2-[Bis(Boc)amino]acrylateBIA33862AKOS033813832AT24934AS-94960SY151860
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 54 · 54-55 °C
- Boiling point
- 350.4 · 350.4±44.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- -2.97 · -2.97±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- 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
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- 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
Suppliers20 total
郑州药领医药科技有限公司13526569071 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西鼎创美捷化工有限公司15209235325 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
宁波苯康基石医药科技有限公司15990591583
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
山东鸿图生物科技有限公司15966937598 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
石家庄渡世生物医药科技有限公司13102890206 18032066297
Related reactions
28 records
Compound notes
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