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1-cyclohexyl-1H-tetrazol-5-amine structure
1-cyclohexyl-1H-tetrazol-5-amine structure

1-cyclohexyl-1H-tetrazol-5-amine

Iupac Name:trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CAS No.:2530-83-8
Molecular Weight:236.3376
1. Names and Identifiers
1.1 Name
1-cyclohexyl-1H-tetrazol-5-amine
1.2 Synonyms

1-cyclohexyltetrazol-5-amine 1h-tetrazol-5-amine, 1-cyclohexyl- 5-amino-1-cyclohexyltetrazole AC1L62F8 AC1Q4XJ3 AKOS017529889 AR-1C2540 DTXSID40301225 nsc141877 ZINC8642346

1.3 CAS No.
2530-83-8
1.4 CID
17317
1.5 Molecular Formula
C14H21N5O4S (isomer)
1.6 Inchi
InChI=1S/C9H20O5Si/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h9H,4-8H2,1-3H3
1.7 InChkey
BPSIOYPQMFLKFR-UHFFFAOYSA-N
1.8 Canonical Smiles
CO[Si](CCCOCC1CO1)(OC)OC
1.9 Isomers Smiles
CO[Si](CCCOCC1CO1)(OC)OC
2. Properties
3.1 Melting point
-50°C
3.1 Boiling point
694.6°C at 760 mmHg
3.1 Refractive index
1.428-1.43
3.1 Vapour pressure
0.00213mmHg at 25°C
3.1 Precise Quality
236.10800
3.1 PSA
49.45000
3.1 logP
0.67000
3. Safety and Handling
4.1 Symbol
GHS05;
4.1 Signal Word
DANGER
4.1 Risk Statements
R21;R36/38
4.1 Safety Statements
S26;S28
4.1 Packing Group
III
4.1 Hazard Declaration
H318
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P280-P305 + P351 + P338
4.1 WGK Germany
2
4.1 RTECS
VV4025000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:236.3376g/mol
  • Molecular Formula:C14H21N5O4S
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:236.10800027
  • Monoisotopic Mass:236.10800027
  • Complexity:166
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:49.4
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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