Molecule structure of Remacemide hydrochloride (CAS NO.111686-79-4):
IUPAC Name: 2-Amino-N-(1,2-diphenylpropan-2-yl)acetamide hydrochloride
Molecular Weight: 304.81444 g/mol
Molecular Formula: C17H21ClN2O
Boiling Point: 466.4 °C at 760 mmHg
Flash Point: 235.9 °C
Enthalpy of Vaporization: 72.82 kJ/mol
Vapour Pressure: 7.09E-09 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 304.134241
MonoIsotopic Mass: 304.134241
Topological Polar Surface Area: 55.1
Heavy Atom Count: 21
Complexity: 306
Canonical SMILES: CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN.Cl
InChI: InChI=1S/C17H20N2O.ClH/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2-11H,12-13,18H2,1H3,(H,19,20);1H
InChIKey of Remacemide hydrochloride (CAS NO.111686-79-4): HYQMIUSWZXGTCC-UHFFFAOYSA-N
1. | orl-rat LD50:897 mg/kg | TOXID9 Toxicologist. 8 (1988),84. | ||
2. | ipr-rat LD50:142 mg/kg | TOXID9 Toxicologist. 8 (1988),84. | ||
3. | orl-mus LD50:781 mg/kg | TOXID9 Toxicologist. 8 (1988),84. | ||
4. | ivn-mus LD50:51 mg/kg | TOXID9 Toxicologist. 8 (1988),84. |
A poison by intraperitoneal and intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and HCl.
Remacemide hydrochloride (CAS NO.111686-79-4) is also named as (+-)-2-Amino-N-(1-methyl-1,2-diphenylethyl)acetamide monohydrochloride ; FPL 12924AA ; PR 934-423A ; Remacemide HCl ; Acetamide, 2-amino-N-(1-methyl-1,2-diphenylethyl)-, monohydrochloride, (+-)- .
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