Basic information
- CAS
334932-13-7- Standard SMILES
CC(C)(C)OC(=O)NC1CCCC(C(=O)O)C1- InChIKey
JSGHMGKJNZTKGF-UHFFFAOYSA-N- Molecular formula
- C12H21NO4
- Average molar mass
- 243.3 g/mol
Names & identifiers
- Preferred name
- 3-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
- IUPAC
- 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
- English name
- Boc-(+/-)-cis-3-aminocyclohexane-1-carboxylic acid
- Molecular formula
- C12H21NO4
- Molecular weight
- 243.3
Names & synonyms
3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid3-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acidRefChem:488057682-000-6334932-13-73-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid3-(Boc-amino)cyclohexanecarboxylic acidMFCD034532523-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic Acid3-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXANE-1-CARBOXYLIC ACIDcis-3-(Boc-amino)cyclohexanecarboxylic acid
Show more names
BOC-CIS-1,3-AMINOCYCLOHEXANE CARBOXYLIC ACID3-(Boc-amino)cyclohexanecarboxylic acid 97%3-(Boc-aMino)cyclohexanecarboxylic acid, 98+%N-BOC-cis-3-Aminocyclohexane-1-carboxylic acidBoc-(+/-)-cis-3-aminocyclohexane-1-carboxylic acidCIS-3-TERT-BUTOXYCARBONYLAMINOCYCLOHEXANECARBOXYLIC ACID
BOC-CIS-3-AMINOCYCLOHEXANE CARBOXYLIC ACID3-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acidcis-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic AcidBOC-1,3-CIS-ACHC-OHCyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-(1R,3S)-3-Boc-Amino-cyclohexanecarboxylic acidSCHEMBL1536096(1R,3S)-rel-3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 396.7 · 396.7±31.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.77 · 4.77±0.13(Predicted)
- Appearance
- White to off-white Solid
- Water Solubility
- Slightly soluble in water (2.1 g/L at 25°C).
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- HS Code
- 2924297099 · 2924297099
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-(Boc-amino)cyclohexanecarboxylic acid is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers70 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
Related reactions
10 records
Compound notes
Loading…