(2E)-4-(dimethylamino)but-2-enoic acid hydrochloride

(2E)-4-(dimethylamino)but-2-enoic acid hydrochloride

CAS: 848133-35-7

Formula: C6H12ClNO2

SMILES: Cl.CN(C)CC=CC(O)=O

IUPAC: (2E)-4-(dimethylamino)but-2-enoic acid hydrochloride

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+;

Composition: C (43.51%), H (7.30%), Cl (21.40%), N (8.46%), O (19.32%)

Molar Mass: 165.62

Atom Count: 22

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	165.0556563
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UUHNQHFOIVLAQX-BJILWQEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.47
Topological Polar Surface Area	40.54
Polarizability	13.59
Ring Count	0
Rotatable Bond Count	3

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