Home > Compound List > Compound details
123-46-6 molecular structure
click picture or here to close

[(hydrazinecarbonyl)methyl]trimethylazanium chloride

ChemBase ID: 102457
Molecular Formular: C5H14ClN3O
Molecular Mass: 167.63716
Monoisotopic Mass: 167.08253976
SMILES and InChIs

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

Cite this record

CBID:102457 http://www.chembase.cn/molecule-102457.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

CALCULATED PROPERTIES

JChem
Acid pKa 11.038027  H Acceptors
H Donor LogD (pH = 5.5) -5.5993176 
LogD (pH = 7.4) -5.5836096  Log P -5.5976024 
Molar Refractivity 48.2926 cm3 Polarizability 14.055466 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
crystalline expand Show data source
Melting Point
188-192 °C (dec.)(lit.) expand Show data source
RTECS
CP3150000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Safety Statements
22-24/25 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (AT) expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Description
cationic expand Show data source
Linear Formula
[(CH3)3N+CH2CONHNH2]Cl- expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215397 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02101777 external link
Crystalline
Sigma Aldrich - G900 external link
Packaging
100 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle