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Basic information
- CAS
1245614-69-0- Standard SMILES
CC(C)(C)OC(=O)NC1CCC(C(=O)O)C1- InChIKey
RNJQBGXOSAQQDG-UHFFFAOYSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.13140809
Names & identifiers
- Preferred name
- 3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
- IUPAC
- 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
- English name
- 3-((tert-Butoxycarbonyl)aMino)cyclopentanecarboxylic acid
- Molecular formula
- C11H19NO4
- Molecular weight
- 229.27
Names & synonyms
855863-93-33-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acidDTXSID30411342RefChem:273058DTXCID40362194816-958-5MFCD020939973-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic Acid3-(Boc-amino)cyclopentanecarboxylic Acid3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid3-(tert-butoxycarbonylamino)cyclopentanecarboxylic acid3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylicacid
Show more names
3-(tert-Butoxycarbonyl-amino)cyclopentane-1-carboxylic acidCyclopentanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-
410090-37-8trans-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid(+)-(1S,3R)-N-Boc-3-aminocyclopentane carboxylic acid3-((tert-butoxycarbonyl)amino)cyclopentane-1-carboxylic acid3-[(TERT-BUTOXYCARBONYL)AMINO]CYCLOPENTANE-1-CARBOXYLIC ACID(1S,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid(1R,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acidN-Boc-3-Aminocyclopentanecarboxylic acid
Database identifiers
- CAS
1245614-69-0、161601-29-2、855863-93-3- PubChem CID
- 5224745
- DTXSID
DTXSID30411342- EC Number
- 196-064-3、692-712-9、816-958-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 382.5 · 382.5±31.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.62 · 4.62±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers32 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
山东龙辰药业有限公司15964061209 15964061209 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海恒创生物科技有限公司021-20227858 · [email protected]
南京英士奇生物科技有限公司18727012071 18727012071 · [email protected]
三本生物技术（苏州）有限公司0512-85667806 18551283436;400-965-3330 · [email protected]
Related reactions
4 records
Compound notes
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