Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Custom Manufacturing  /  Organic Intermediates  /  Antibiotic and antimicrobial agents
n4-[2-(cyclohex-1-en-1-yl)ethyl]morpholine-2,4-dicarboxamide structure
n4-[2-(cyclohex-1-en-1-yl)ethyl]morpholine-2,4-dicarboxamide structure

n4-[2-(cyclohex-1-en-1-yl)ethyl]morpholine-2,4-dicarboxamide

Iupac Name:isoquinolin-8-amine
CAS No.:23687-27-6
Molecular Weight:144.17
1. Names and Identifiers
1.1 Name
n4-[2-(cyclohex-1-en-1-yl)ethyl]morpholine-2,4-dicarboxamide
1.2 Synonyms

MCULE-8503685358 MOLPORT-029-907-513 Z962941946

1.3 CAS No.
23687-27-6
1.4 CID
13927912
1.5 Molecular Formula
C19H18N2O3 (isomer)
1.6 Inchi
InChI=1S/C9H8N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H,10H2
1.7 InChkey
GUSYANXQYUJOBH-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC2=C(C=NC=C2)C(=C1)N
1.9 Isomers Smiles
C1=CC2=C(C=NC=C2)C(=C1)N
2. Properties
3.1 Melting point
155-157
3.1 Refractive index
1.708
3.1 Vapour pressure
0mmHg at 25°C
3.1 Precise Quality
144.06900
3.1 PSA
38.91000
3.1 logP
2.39820
3. Safety and Handling
4.1 Risk Statements
41
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:144.17g/mol
  • Molecular Formula:C19H18N2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:144.068748264
  • Monoisotopic Mass:144.068748264
  • Complexity:136
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.9
  • Heavy Atom Count:11
  • 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
6. Recommended Suppliers
Global78SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
8-Aminoisoquinoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/28
Inquire
  • Products:1451-82-7 236117-38-7 49851-31-2 124878-55-3 20388-87-8 22374-89-6 28578-16-7 52190-28-0 2836-82-0 288573-56-8 20320-59-6
  • Tel:+86-311-89850048
  • Email:amber@zk-chem.com
8-Aminoisoquinoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/25
Inquire
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
iso-8-amino-quinoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/13
Inquire
  • Products:Chlorodimethylsilane;1,1,3,3-tetramethyldisiloxane
  • Tel:0086-531-58773055
8-AMINOISOQUINOLINE
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0 RMB/metric ton
  • Time: 2018/11/21
Inquire
  • Products:API & API intermediates
  • Tel:86-21-33758180
8-Aminoisoquinoline
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  USD/kilogram
  • Time: 2020/02/14
Inquire