Basic information
- CAS
1274904-54-9- Standard SMILES
O=C(O)C1CC(NCc2ccccc2)C1- InChIKey
AEZROTIRNKHKAU-XYPYZODXSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- trans-3-Benzylaminocyclobutanecarboxylic acid
- IUPAC
- 3-(benzylamino)cyclobutane-1-carboxylic acid
- English name
- trans-3-[(phenylMethyl)aMino]cyclobutanecarboxylic acid TFA (1:1)
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
1274904-54-9TRANS-3-BENZYLAMINOCYCLOBUTANECARBOXYLIC ACIDRefChem:898789801-078-63-(benzylamino)cyclobutane-1-carboxylic acid1382035-25-7trans-3-(benzylamino)cyclobutane-1-carboxylic acidcis-3-(Benzylamino)cyclobutanecarboxylic acidtrans-3-(Benzylamino)cyclobutanecarboxylic acidcis-3-(benzylamino)cyclobutane-1-carboxylic acidCIS-3-BENZYLAMINOCYCLOBUTANECARBOXYLIC ACIDSB10951
Show more names
trans-3-[(Phenylmethyl)amino]cyclobutanecarboxylic acid TFACyclobutanecarboxylic acid, 3-[(phenylmethyl)amino]-, trans-trans-3-[(phenylMethyl)aMino]cyclobutanecarboxylic acid TFA (1:1)trans-3-[(phenylmethyl)amino]cyclobutanecarboxylic acid TFA (1:1) - P10685trans-3-[(Phenylmethyl)amino]cyclobutanecarboxylic acid trifluoroacetic acid (1:1)
SB10958SB22486cis-3-(Benzylamino)cyclobutanecarboxylicacidCS-0057101CS-0184610EN300-1196552trans-3-[(Phenylmethyl)amino]cyclobutanecarboxylic acid
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 371.2 · 371.2±35.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.01 · 4.01±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
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-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
斯派螺（武汉）药物研发有限公司[email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
山东盛安贝新能源有限公司南京分公司18761883648 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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