(E)-4-(Dimethylamino)-2-butenoic acid hydrochloride

C6H12ClNO2CAS 848133-35-7165.62 g/mol

Open in Covalent MOL file
NOOHHCl
AlkeneCarboxylic acidTertiary amine

Properties

Molecular formula
C6H12ClNO2
Molar mass
165.62 g/mol
Exact mass
165.0557 Da
logP
0.61Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
848133-35-7
SMILES
CN(C)C/C=C/C(=O)O.Cl
InChIKey
UUHNQHFOIVLAQX-BJILWQEISA-N
InChI
InChI=1S/C6H11NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-4H,5H2,1-2H3,(H,8,9);1H/b4-3+;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2-Butenoic acid, 4-(dimethylamino)-, hydrochloride (1:1), (2E)-
  • 2-Butenoic acid, 4-(dimethylamino)-, hydrochloride, (2E)-
  • (2E)-4-(Dimethylamino)-2-butenoic acid hydrochloride
  • (2E)-4-(Dimethylamino)but-2-enoic acid hydrogenchloride

Work with (E)-4-(Dimethylamino)-2-butenoic acid hydrochloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(1-Piperidinyl)-2-(E)-butenoicacid hydrochloride197892-69-659 % similar trans-2-Pentenoic acid13991-37-248 % similar 2-Hexenoic acid1191-04-445 % similar trans-2-Hexenoic acid13419-69-745 % similar 4-Bromocrotonic acid13991-36-144 % similar Glutaconic acid1724-02-342 % similar Dimethylglycine hydrochloride2491-06-742 % similar trans-2-Octenoic acid1871-67-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128052-92-6 cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128110-37-2 (S)-2-Methylpyrrolidine-2-carboxylic acid (hydrochloride)1508261-86-6 Methyl 3-pyrrolidinecarboxylate hcl198959-37-4 Methyl prolinate hydrochloride2133-40-6 Aminoethyl methacrylate hydrochloride2420-94-2 Isonipecotic acid hydrochloride5984-56-5 (R)-Proline methyl ester hydrochloride65365-28-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook