(E)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile hydrochloride
Properties
- Molecular formula
- C11H13ClN2
- Molar mass
- 208.69 g/mol
- Exact mass
- 208.0767 Da
- logP
- 2.84Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
661489-23-2SMILES
CC1=CC(=CC(=C1N)C)/C=C/C#N.ClInChIKey
DHBOHGCHPDMVOD-BJILWQEISA-NInChI
InChI=1S/C11H12N2.ClH/c1-8-6-10(4-3-5-12)7-9(2)11(8)13;/h3-4,6-7H,13H2,1-2H3;1H/b4-3+;Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (E)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile hydrochloride
Similar compounds
3,3′,5,5′-Tetramethylbenzidine dihydrochloride64285-73-048 % similar
4-Amino-3,5-dimethylbenzonitrile74896-24-544 % similar
Cinnamonitrile1885-38-740 % similar
2,6-Dimethylaniline hydrochloride21436-98-640 % similar
4-Chloro-2,6-dimethylaniline24596-18-740 % similar
Cinnamonitrile4360-47-840 % similar
3,3′,5,5′-Tetramethylbenzidine54827-17-739 % similar
2,4,6-Trimethylaniline88-05-138 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds