(Z)-3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride

HCID 178761998

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Basic information

CAS: 835638-57-8
Standard SMILES: C[N+](C)(C)C/C=C\C(=O)O.[Cl-]
InChIKey: PUKNFWRLBQXPFL-MKWAYWHRSA-N
Molecular formula: C7H14ClNO2
Average molar mass: 179.64 g/mol

Names & identifiers

Preferred name: (Z)-3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride
IUPAC: [(Z)-3-carboxyprop-2-enyl]-trimethylazanium chloride
English name: 2-Propen-1-aminium, 3-carboxy-N,N,N-trimethyl-, chloride (1:1), (2Z)-
Molecular formula: C7H14ClNO2
Molecular weight: 179.64

Names & synonyms

Levocarnitine Impurity 38(Z)-3-Carboxy-N,N,N-trimethylprop-2-en-1-aminium chloride835638-57-8(Z)-4-(Trimethylammonio)but-2-enoateLevocarnitine Impurity 11Levocarnitine Impurity 44Levocarnitine impurity I cisLevocarnitine Impurity(Z-isomer)Levocarnitine EP Impurity A(Z-isomer)2-Propen-1-aminium, 3-carboxy-N,N,N-trimethyl-, chloride (1:1), (2Z)-

Database identifiers

CAS: 835638-57-8

Properties

Computed structural properties

Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

InChI: InChI=1S/C7H13NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-5H,6H2,1-3H3;1H/b5-4-;
InChIKey: PUKNFWRLBQXPFL-MKWAYWHRSA-N
SMILES: C([N+](C)(C)C)/C=C\C(=O)O.[Cl-]

Chemistry & industry

Suppliers16 total

武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]

广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

山东大有药物研发有限公司[email protected] 15165037910 · [email protected]

长沙晨辰医药科技有限公司189-75832125 13397510867 · [email protected]

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