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Home> Hot Product Listed 1   > 1-Piperidinecarboxylicacid, 4-[(ethylamino)methyl]-, 1,1-dimethylethylester
62-56-6 structure

1-Piperidinecarboxylicacid, 4-[(ethylamino)methyl]-, 1,1-dimethylethylester

Iupac Name:thiourea
CAS No.:62-56-6
Molecular Weight:76.117
Molecular Formula:C12H19NO (isomer)
Names and Identifiers
Synonyms

1-(tert-butoxycarbonyl)4-(ethylaminomethyl)piperidine 1-boc-4-(ethylaminomethyl)piperidine 4-[(ethylamino)methyl]-1-piperidinecarboxylicacid 1,1-dimethylethylester 4-[(Ethylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester 4-ethylaminomethyl-piperidine-1-carboxylic acid tert-butyl ester 4-ethylaminomethylpiperidine-1-carboxylic acid tert-butyl ester 614745-80-1 tert-butyl 4-((ethylamino)methyl)piperidine-1-carboxylate A25814 AB1006643 AJ-119571 AK-53549 AKOS007930652 AM101022 B-1333 DTXSID10692894 FT-0688656 GGCSYCMKWQRFMZ-UHFFFAOYSA-N HT926 I12-0665 KB-38594 SCHEMBL1244714 tert-butyl 4-((ethylamino)methyl) piperidine-1-carboxylate tert-butyl 4-((ethylamino)methyl)piperidine-1-carboxylate tert-butyl 4-[(ethylamino)methyl]piperidine-1-carboxylate ZINC72194411

Inchi
InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
InChkey
UMGDCJDMYOKAJW-UHFFFAOYSA-N
Canonical Smiles
C(=S)(N)N
Properties
Melting Point
171-175℃
Refractive Index
1.637 (30 C)
Flash Point
450.1 °C
HS Code
29309070
Safety and Handling
Risk Statements
R22;R40;R51/53;R63
Safety Statements
S36/37;S61
HazardClass
6.1
PackingGroup
III
Transport
UN 2877/2811
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
AlzChem AG 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Carcinogenicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H351 Suspected of causing cancer

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:76.117g/mol
  • Molecular Formula:C12H19NO
  • Compound Is Canonicalized:True
  • Exact Mass:76.01
  • Monoisotopic Mass:76.01
  • Complexity:29
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:84.1A^2
  • Heavy Atom Count:4
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYADAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQQAAAAAAAAAAABAABAAAAE AAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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