Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Blood System Agents  /  Food Additives  /  Pharmaceutical Intermediates  /  Nutrition Enhancers  /  Food Colorants
4-[(S)-(4-Chlorophenyl)phenylmethyl]piperazineacetic Acid Hydrochloride structure
4-[(S)-(4-Chlorophenyl)phenylmethyl]piperazineacetic Acid Hydrochloride structure

4-[(S)-(4-Chlorophenyl)phenylmethyl]piperazineacetic Acid Hydrochloride

Iupac Name:iron(2+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CAS No.:299-29-6
Molecular Weight:446.139
1. Names and Identifiers
1.1 Name
4-[(S)-(4-Chlorophenyl)phenylmethyl]piperazineacetic Acid Hydrochloride
1.2 CAS No.
299-29-6
1.3 CID
23616740
1.4 Molecular Formula
C37H45NO10 (isomer)
1.5 Inchi
InChI=1S/2C6H12O7.Fe/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1
1.6 InChkey
VRIVJOXICYMTAG-IYEMJOQQSA-L
1.7 Canonical Smiles
C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Fe+2]
1.8 Isomers Smiles
C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Fe+2]
2. Properties
3.1 Density
1.132±0.06 g/cm3(Predicted)
3.1 Boiling point
425.5±18.0 °C at 760 mmHg
3.1 Precise Quality
464.04600
3.1 PSA
264.13000
3.1 logP
-7.20720
3. Safety and Handling
4.1 Risk Statements
S22-S24/25
4.1 Safety Statements
22-24/25
4.1 RIDADR
50kgs
4.1 WGK Germany
2
4.1 RTECS
LZ5150000
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) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Uses
4-[(S)-(4-Chlorophenyl)phenylmethyl]piperazineacetic Acid Hydrochloride serves as a reagent for the preparation of chiral dibenzylpyrazine derivatives for preventing and treating allergy.
6. Computational chemical data
  • Molecular Weight:446.139g/mol
  • Molecular Formula:C37H45NO10
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:446.035891
  • Monoisotopic Mass:446.035891
  • Complexity:165
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:10
  • Hydrogen Bond Acceptor Count:14
  • Topological Polar Surface Area:283
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:8
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
7. Recommended Suppliers
Global196SuppliersView all >>
  • Products:Pharma &Food Intermediates Water Treatment Chemicals Industrial Specialties Fine Chemicals
  • Tel:86-27-84452116
  • Email:steven@cspharmchem.com
FCC, USP, BP Ferrous Gluconate C12H22FeO14 .2H2O
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 30 USD/kg
  • Time: 2022/05/20
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Iron digluconate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/02/09
Inquire
  • Products:MK677, LGD4033 etc Sarms, HGH peptide,Nootropics,Tianeptine sodium, CBD oil, cannabidiol powder,Sildenafil Viagra powder, Tadalafil cialis powder, steroids etc
  • Tel:0086-311-15511698343
  • Email:anny@bsterltd.com
Dihydrate Iron Ferrous Gluconate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.01 USD/g
  • Time: 2022/05/19
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:spring@crovellbio.com
Ferrous Gluconate CAS 299-29-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 20 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
ferrous gluconate anhydrous
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/05/20
Inquire