Basic information
- CAS
94-14-4- Standard SMILES
CC(C)COC(=O)c1ccc(N)cc1- InChIKey
PUYOAVGNCWPANW-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Overview
Isobutamben is a small molecule drug. Isobutamben has a monoisotopic molecular weight of 193.11 Da.
Names & identifiers
- Preferred name
- Isobutamben
- IUPAC
- 2-methylpropyl 4-aminobenzoate
- English name
- 4-Aminobenzoic acid isobutyl ester
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
IsobutambenIsobutyl 4-aminobenzoate94-14-4IsocaineIsobutyl p-aminobenzoateCycloformBenzamelidCicloformeCyclogesinIsobutylcaineIsobutyl KeloformBenzoic acid, 4-amino-, 2-methylpropyl ester
Show more names
NSC23517NSC 23517NSC-23517Cyclocaine
Isocaine (VAN)IsobutambenoIsobutambenump-Aminobenzoic acid isobutyl esterIsobutyl p-aminobenzobenzoateIsobutamben [USAN:INN](2-Methylpropyl) p-aminobenzoateIsobutambenum [INN-Latin]
Database identifiers
- CAS
94-14-4- PubChem CID
- 7176
- DTXSID
DTXSID9023170- ChEMBL
CHEMBL1985617- UNII
- 9566855ULN
- EC Number
- 202-308-2
- Nikkaji
- J4.694I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 65 °C · 65°C
- Boiling point
- 329.46 °C · 329.46°C (rough estimate)
- Density
- 1.0945 · 1.0945 (rough estimate)
- refractive index
- 1.5041 · 1.5041 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 2.33 · 2.33±0.10(Predicted)
- color
- White to Light yellow to Dark green
- Merck
- 14 · 14,5133
- CAS DataBase Reference
- 94 · 94-14-4(CAS DataBase Reference)
- FDA UNII
- 9566855 ULN · 9566855ULN
- EPA Substance Registry System
- 4 · Benzoic acid, 4-amino-, 2-methylpropyl ester (94-14-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
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
H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (97.5%)
Safety data
- tsca
- TSCA listed
- rtecs
- DG2955000
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-amino-, 2-methylpropyl ester: INACTIVE
Applications
Usesanesthetic (topical)
UsesMedicine (topical anesthetic), sunscreen preparations.
Suppliers33 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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