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420-04-2 molecular structure
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aminoformonitrile

ChemBase ID: 2404
Molecular Formular: CH2N2
Molecular Mass: 42.03998
Monoisotopic Mass: 42.02179807
SMILES and InChIs

SMILES:
NC#N
Canonical SMILES:
NC#N
InChI:
InChI=1S/CH2N2/c2-1-3/h2H2
InChIKey:
XZMCDFZZKTWFGF-UHFFFAOYSA-N

Cite this record

CBID:2404 http://www.chembase.cn/molecule-2404.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
aminoformonitrile
IUPAC Traditional name
cyanamide
Synonyms
Amidocyanogen
carbamonitriln
carbimidn
carbodiimidn
cyanoaminn
cyanoazann
N-cyanoaminn
cyanogenamidn
cyanogen amidn
cyanogen nitridn
diiminomethann
hydrogen cyanamidn
methane diimide
Cyanamide
Hydrogen cyanamide
Cyanamide
CYANAMIDE, 50% AQUEOUS SOLUTION
Cyanamide solution
Carbimide
氨基腈
碳二亚胺
氰胺
氰胺 溶液
氨基氰
CAS Number
420-04-2
EC Number
206-992-3
MDL Number
MFCD00007572
Beilstein Number
1732569
Merck Index
142684
PubChem SID
24851270
160965855
24893106
46506862
PubChem CID
9864
CHEBI ID
16698
CHEMBL
56279
Chemspider ID
9480
DrugBank ID
DB02679
KEGG ID
D00123
Unique Ingredient Identifier
21CP7826LC
Wikipedia Title
Cyanamide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 10.868943  H Acceptors
H Donor LogD (pH = 5.5) -0.64494234 
LogD (pH = 7.4) -0.64494234  Log P -0.64494234 
Molar Refractivity 10.8777 cm3 Polarizability 3.6036916 Å3
Polar Surface Area 49.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -0.86  LOG S -0.19 
Solubility (Water) 2.74e+01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
85 g/100 ml (25 °C) in water expand Show data source
ethanol: soluble100 mg/mL, clear to hazy expand Show data source
soluble in organic solvents expand Show data source
Apperance
Crystalline solid expand Show data source
Melting Point
43-47°C expand Show data source
44 °C expand Show data source
44-46°C expand Show data source
45°C expand Show data source
45-46 °C(lit.) expand Show data source
Boiling Point
132-138°C expand Show data source
132-138°C/12mm expand Show data source
260 °C (decomp.)
83 °C at 6.7 Pa
140 °C at 2.5 kPa
expand Show data source
83 °C/0.5 mmHg(lit.) expand Show data source
Flash Point
141 °C expand Show data source
141°C expand Show data source
141°C(285°F) expand Show data source
285.8 °F expand Show data source
Density
1.082 g/mL at 25 °C expand Show data source
1.28 g/cm3 expand Show data source
1.28 g/ml expand Show data source
1.282 expand Show data source
Refractive Index
n20/D 1.405 expand Show data source
Storage Warning
Light Sensitive & Hygroscopic expand Show data source
Toxic/Harmful/Irritant/Light Sensitive/Hygroscopic/Store under Argon/Keep Cold expand Show data source
RTECS
GS5950000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2810 expand Show data source
2811 expand Show data source
UN2923 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
2 expand Show data source
Hazard Class
6.1 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
III expand Show data source
Risk Statements
21-25-36/38-43 expand Show data source
R:21-25-36/38-43 expand Show data source
R21, R25, R36/38, R43 expand Show data source
Safety Statements
26-36/37-45 expand Show data source
3-22-36/37-45 expand Show data source
S:3-22-45-36/37 expand Show data source
S1/2, S3, S22, S36/37, S45 expand Show data source
TSCA Listed
expand Show data source
EU Index
615-013-00-2 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
1
4
3
expand Show data source
GHS Hazard statements
H301-H311-H315-H317-H319 expand Show data source
H301-H312-H315-H317-H319 expand Show data source
H301-H312-H319-H317-H314 expand Show data source
GHS Precautionary statements
P261-P280H-P235-P305+P351+P338-P309-P310 expand Show data source
P280-P301 + P310-P305 + P351 + P338 expand Show data source
P280-P301 + P310-P305 + P351 + P338-P312 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2810 6.1/PG 2 expand Show data source
UN 2811 6.1/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
98+%, stab. expand Show data source
99% expand Show data source
Concentration
50 wt. % in H2O expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Contains
stabilizer expand Show data source
Linear Formula
NCNH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202128 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB02679 external link
Item Information
Drug Groups experimental
Description A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism. [PubChem]
Sigma Aldrich - C87908 external link
Packaging
1 kg in glass bottle
100, 250 g in glass bottle
Sigma Aldrich - 187364 external link
Packaging
5, 25, 100, 250 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • One-carbon fragment which can behave as a nucleophile or an electrophile. Alkylating agents give N,N-dialkyl cyanamides which readily undergo hydrolysis to dialkylamines: Synthesis, 882 (1978).
  • • Useful building block for heterocyclic synthesis. Reaction with o-phenylenediamines gives 2-aminobenzimidazoles: Angew. Chem. Int. Ed., 12, 841 (1973). With 4-(1-Cyclohexen-1-yl)morpholine, B22004, and elemental sulfur, a 2-aminothiazole is formed in good yield: J. Prakt. Chem., 312, 776 (1970):
  • • In the presence of NBS, undergoes addition to alkenes. The products are converted to N-cyanoaziridines by base: Tetrahedron Lett., 1125 (1970), or in the presence of acid, cyclization gives an imidazoline, which can be converted to the vic-diamine: J. Am. Chem. Soc., 105, 4106 (1983); Tetrahedron Lett., 25, 399 (1984):
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PATENTS

PATENTS

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INTERNET

INTERNET

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