Basic information
- CAS
1212380-76-1- Standard SMILES
O=C(NC1CC(C(=O)O)C1)OCc1ccccc1- InChIKey
OBTCPLYMKZBZTO-PHIMTYICSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- Rac-(1s,3s)-3-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid
- IUPAC
- 3-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
- English name
- cis-3-Cbz-aminocyclobutanecarboxylic acid
- Molecular formula
- C13H15NO4
- Molecular weight
- 249.26
Names & synonyms
1212380-76-1Rac-(1s,3s)-3-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acidrac-(1s,3s)-3-{[(benzyloxy)carbonyl]amino}cyclobutane-1-carboxylic acidRefChem:873354858-717-71217802-45-3TRANS-3-(CBZ-AMINO)CYCLOBUTANECARBOXYLIC ACID1234615-96-3cis-3-(((Benzyloxy)carbonyl)amino)cyclobutanecarboxylic acidCIS-3-(CBZ-AMINO)CYCLOBUTANECARBOXYLIC ACIDtrans-3-(((Benzyloxy)carbonyl)amino)cyclobutanecarboxylic acid3-(CBZ-AMINO)CYCLOBUTANECARBOXYLIC ACID
Show more names
cis-3-Aminocyclobutanecarboxylic acid, N-CBZ protected
3-{[(benzyloxy)carbonyl]amino}cyclobutane-1-carboxylic acidtrans-3-CBZ-Aminocyclobutanecarboxylic acidMFCD066599673-(Benzyloxycarbonylamino)cyclobutanecarboxylic acid(1s,3s)-3-(benzyloxycarbony)cyclobutanecarboxylic acidMFCD06659966CIS-3-CBZ-AMINOCYCLOBUTANECARBOXYLIC ACIDCyclobutanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, trans-
Database identifiers
- CAS
1212380-76-1- PubChem CID
- 40468300
- EC Number
- 858-717-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 464.9 · 464.9±44.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.58 · 4.58±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
- Hazard Codes
- Xi
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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Suppliers15 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
宁波苯康基石医药科技有限公司15990591583
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
Shanghai Safer Pharmaceutical Technology Co., Ltd.021-31761238 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海缮远医药科技有限公司021-31761238 13167072949 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
山东盛安贝新能源有限公司南京分公司18761883648 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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