Basic information
- CAS
1363378-21-5- Standard SMILES
CC(C)(C)OC(=O)N[C@@]1(C)CCCNC1- InChIKey
IKLFTJQKKCELGD-NSHDSACASA-N- Molecular formula
- C11H22N2O2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.16812795
Names & identifiers
- Preferred name
- (3S)-3-(Boc-Amino)-3-methylpiperidine
- IUPAC
- tert-butyl N-[(3S)-3-methylpiperidin-3-yl]carbamate
- English name
- tert-butyl N-[(3S)-3-methylpiperidin-3-yl]carbamate
- Molecular formula
- C11H22N2O2
- Molecular weight
- 214.3
Names & synonyms
1363378-21-5(3S)-3-(Boc-amino)-3-methylpiperidineRefChem:401296888-997-6tert-butyl N-[(3S)-3-methylpiperidin-3-yl]carbamate(S)-tert-Butyl (3-methylpiperidin-3-yl)carbamateMFCD22566225Carbamic acid, N-[(3S)-3-methyl-3-piperidinyl]-, 1,1-dimethylethyl esterAKOS025402632PB36477P13326(S)-tert-Butyl(3-methylpiperidin-3-yl)carbamate
Show more names
tert-butyl (S)-(3-methylpiperidin-3-yl)carbamate
SCHEMBL13833260(S)-N-Boc-3-methylpiperidin-3-amineSB20237AS-51701SY099893tert-butyl N-[(3S)-3-methylpiperidin-3-CS-0047999F503499
Database identifiers
- CAS
1363378-21-5- PubChem CID
- 71007262
- EC Number
- 888-997-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 308.4 · 308.4±31.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 12 · 12+-.0.20(Predicted)
- Appearance
- off-white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Applications
Uses(S)-tert-butyl (3-methylpiperidin-3-yl)carbamate is used in the preparation of substituted benzothienyl-pyrrolotriazines as antitumor agents.
Suppliers22 total
宁波振岳医药科技有限公司19817745290 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京后秀医药科技有限公司15252458249 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…