4-(2-Methylpropoxy)benzenemethanamine acetate (1:1)
Properties
- Molecular formula
- C13H21NO3
- Molar mass
- 239.31 g/mol
- Exact mass
- 239.1521 Da
- logP
- 2.27Crippen estimate
- Polar surface area
- 72.5 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 4
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
955997-89-4SMILES
CC(C)COC1=CC=C(C=C1)CN.CC(=O)OInChIKey
VPEGFBXWSGBVDN-UHFFFAOYSA-NInChI
InChI=1S/C11H17NO.C2H4O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11;1-2(3)4/h3-6,9H,7-8,12H2,1-2H3;1H3,(H,3,4)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(2-Methylpropoxy)benzenemethanamine acetate (1:1)
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Acetic acid64-19-7Free acid
(2H3)Acetic (2H)acid1186-52-3Free acid, labelled
(4-Isobutoxyphenyl)methanamine4734-09-2Free base
Potassium acetate127-08-2Salt
Aluminium diacetate142-03-0Salt
Copper(II) acetate142-71-2Salt
Lead(II) acetate301-04-2Salt
Aluminium triacetate139-12-8Salt
Calcium acetate62-54-4Salt
Mercury(II) acetate1600-27-7Salt
4-Aminophenylmercuric acetate6283-24-5Salt
Basic lead acetate1335-32-6Salt
Similar compounds
4-(Aminomethyl)benzoic acid56-91-739 % similar
4-[2-(Dimethylamino)ethoxy]benzenemethanamine20059-73-838 % similar
4-Methoxybenzylamine2393-23-938 % similar
4-Isopropylphenoxyacetic acid1643-16-937 % similar
Methyl 4-(aminomethyl)benzoate18469-52-836 % similar
4-(Difluoromethoxy)benzylamine177842-14-736 % similar
2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-635 % similar
4-Isopropylbenzylamine4395-73-735 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds