3,4,5-Trimethoxybenzylamine
Properties
- Molecular formula
- C10H15NO3
- Molar mass
- 197.23 g/mol
- Exact mass
- 197.1052 Da
- Melting point
- 227–229 °C
- Boiling point
- 122 °C
- logP
- 1.17Crippen estimate
- Polar surface area
- 53.7 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 4
Hazards
Danger
- H302 Harmful if swallowed87.2% of notifiers
- H312 Harmful in contact with skin87.2% of notifiers
- H314 Causes severe skin burns and eye damage12.8% of notifiers
- H315 Causes skin irritation87.2% of notifiers
- H319 Causes serious eye irritation87.2% of notifiers
- H332 Harmful if inhaled85.1% of notifiers
- H335 May cause respiratory irritation87.2% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
18638-99-8SMILES
COc1cc(CN)cc(OC)c1OCInChIKey
YUPUSBMJCFBHAP-UHFFFAOYSA-NInChI
InChI=1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenemethanamine, 3,4,5-trimethoxy-
- Benzylamine, 3,4,5-trimethoxy-
- 3,4,5-Trimethoxybenzenemethanamine
- 3,4,5-Trimethoxyphenylmethylamine
- NSC 101336
- (3,4,5-Trimethoxyphenyl)methanamine
- 3,4,5-Tris(methyloxy)benzylamine
Work with 3,4,5-Trimethoxybenzylamine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Veratrylamine5763-61-162 % similar
3,4,5-Trimethoxybenzyl chloride3840-30-059 % similar
3,4,5-Trimethoxybenzyl alcohol3840-31-159 % similar
(3,5-Dimethoxyphenyl)methanamine34967-24-357 % similar
3,4,5-Trimethoxyaniline24313-88-054 % similar
3,4,5-Trimethoxyphenylacetonitrile13338-63-153 % similar
Elemicin487-11-653 % similar
3-Chloro-4-methoxybenzenemethanamine115514-77-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds