[(hydrazinecarbonyl)methyl]trimethylazanium chloride

• ChemBase ID: 102457
• Molecular Formular: C5H14ClN3O
• Molecular Mass: 167.63716
• Monoisotopic Mass: 167.08253976
• SMILES: C[N+](C)(C)CC(=O)NN.[Cl-]
• Canonical SMILES: NNC(=O)C[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H
• InChIKey: YSULOORXQBDPCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(hydrazinecarbonyl)methyl]trimethylazanium chloride
• IUPAC Traditional name: [(hydrazinecarbonyl)methyl]trimethylazanium chloride
• Synonyms: Girard’s reagent T; (Carboxymethyl)trimethylammonium chloride hydrazide; Carboxymethyl trimethyl ammonium chloride hydrazide; (Hydrazinocarbonylmethyl)trimethylammonium chloride; Acethydrazide trimethylammonium chloride; GIRARDS T REAGENT; ACETOHYDRAZIDE TRIMETHYLAMMONIUM CHLORIDE; (羧甲基)三甲基氯化铵酰肼; 乙酰肼三甲基氯化铵; 氯化三甲基铵乙酰肼; 吉拉尔特试剂 T

Database IDs

• CAS Number: 123-46-6
• EC Number: 204-629-3
• MDL Number: MFCD00012009
• Beilstein Number: 3727163
• PubChem SID: 162089913; 24895356
• PubChem CID: 67156

CALCULATED PROPERTIES

• Acid pKa: 11.038027
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.5993176
• LogD (pH = 7.4): -5.5836096
• Log P: -5.5976024
• Molar Refractivity: 48.2926 cm^3
• Polarizability: 14.055466 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline
• Melting Point: 188-192 °C (dec.)(lit.)

Safety Information

• RTECS: CP3150000
• German water hazard class: 3
• Safety Statements: 22-24/25
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (AT); 99%
• Grade: purum
• Description: cationic
• Linear Formula: [(CH3)3N+CH2CONHNH2]Cl-

DETAILS

MP Biomedicals - 05215397

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101777

Crystalline

Sigma Aldrich - G900

Packaging
100 g in poly bottle