Basic information
- CAS
223644-10-8- Standard SMILES
C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1- InChIKey
GDTFCUXOVITPHU-SECBINFHSA-N- Molecular formula
- C11H22N2O2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.16812795
Names & identifiers
- Preferred name
- tert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate
- English name
- (3R)-Hexahydro-3-methyl-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester
- Molecular formula
- C11H22N2O2
- Molecular weight
- 214.3
Names & synonyms
223644-10-8TERT-BUTYL (3R)-3-METHYL-1,4-DIAZEPANE-1-CARBOXYLATERefChem:891824867-393-6(R)-1-BOC-3-METHYL-[1,4]DIAZEPANE(R)-TERT-BUTYL 3-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE(3R)-Hexahydro-3-methyl-1H-1,4-diazepine-1-carboxylic acid tert-butyl esterMFCD15072097YIA64410(R)-1-Boc-3-methyl-1,4-diazepanetert-butyl (R)-3-methyl-1,4-diazepane-1-carboxylateMFCD150
Show more names
2-Methyl-2-propanyl(3R)-3-methyl-1,4-diazepane-1-carboxylatetert-butyl (3R)-3-methyl-1,4-diazepane-1-carboxylate - [B22459](3R)-Hexahydro-3-methyl-1H-1,4-diazepine-1-carboxylic acid tert-butyl este1H-1,4-Diazepine-1-carboxylic acid, hexahydro-3-methyl-, 1,1-dimethylethyl ester, (3R)-
AKOS027339909AC-30965BS-16102SY253657DB-126368CS-0079658F12731EN300-7126855
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 288 ℃ · 288℃
- Density
- 0.98 · 0.980
- Flash point
- 128 ℃ · 128℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C11H22N2O2/c1-9-8-13(7-5-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m1/s1
- InChIKey
- GDTFCUXOVITPHU-SECBINFHSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCCN[C@H](C)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
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, P317, 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
- H302
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Suppliers48 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海科利生物医药有限公司13816253073 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
武汉华瀚鼎诚新材料科技有限公司18963961905 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
上海钰康生物科技有限公司18939844854 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
杭州百伦检测技术有限公司19143500486 · [email protected]
西安奕诺生物科技有限公司18809207782 18809207782 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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