3-Ethyl-3-azetidinol hydrochloride

CAS

935668-00-1

Catalog Number

ACM935668001

Category

Other Products

Molecular Weight

137.61

Molecular Formula

C₅H₁₁NO.HCl

MSDS COA Spec Sheet

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Specification

Synonyms

3-ethylazetidin-3-ol hydrochloride, 935668-00-1, 3-ETHYL-3-HYDROXY-AZETIDINE HCL, 3-ETHYL-3-AZETIDINOL HYDROCHLORIDE, SureCN1187987, AKOS015900669, PB13452, RL05874, AK131950, AM807070, KB-31676, 3-AZETIDINOL, 3-ETHYL-, HYDROCHLORIDE, 3-ETHYL-3-HYDROXYAZETIDINE HYDROCHLORIDE, I14-15748

IUPAC Name

3-ethylazetidin-3-ol;hydrochloride

Canonical SMILES

CCC1(CNC1)O.Cl

InChI Key

PIMOMOKLCCGODE-UHFFFAOYSA-N

Boiling Point

218.3ºC at 760 mmHg

Flash Point

85.8ºC

Exact Mass

137.06100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 3-Ethyl-3-azetidinol hydrochloride?

The molecular formula is C5H12ClNO.

What is the molecular weight of 3-Ethyl-3-azetidinol hydrochloride?

The molecular weight is 137.61 g/mol.

What is the IUPAC name of 3-Ethyl-3-azetidinol hydrochloride?

The IUPAC name is 3-ethylazetidin-3-ol;hydrochloride.

What is the InChI key of 3-Ethyl-3-azetidinol hydrochloride?

The InChI key is PIMOMOKLCCGODE-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3-Ethyl-3-azetidinol hydrochloride have?

It has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Ethyl-3-azetidinol hydrochloride have?

It has 2 hydrogen bond acceptor counts.

What is the exact mass of 3-Ethyl-3-azetidinol hydrochloride?

The exact mass is 137.0607417 g/mol.

What is the topological polar surface area of 3-Ethyl-3-azetidinol hydrochloride?

The topological polar surface area is 32.3 Å².

How many covalently-bonded unit counts does 3-Ethyl-3-azetidinol hydrochloride have?

It has 2 covalently-bonded unit counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Upstream Synthesis Route 1

147293-65-0

935668-00-1

Reference: [1]Zhang, Yong-Kang; Plattner, Jacob J.; Easom, Eric E.; Jacobs, Robert T.; Guo, Denghui; Freund, Yvonne R.; Berry, Pamela; Ciaravino, Vic; Erve, John C. L.; Rosenthal, Philip J.; Campo, Brice; Gamo, Francisco-Javier; Sanz, Laura M.; Cao, Jianxin
[Journal of Medicinal Chemistry, 2017, vol. 60, # 13, p. 5889 - 5908]

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