Encyclopedia / Pharmaceutical Intermediates / Custom Manufacturing

(1R)-TRANS-1,2-CYCLOPENTANEDIOL

CAS：930-46-1
MW:102.13
MF：C5H10O2

Email Tweet Share

Names and ldentifier
Properties
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: (1R)-TRANS-1,2-CYCLOPENTANEDIOL

1.2 Synonyms: (+/-)-1,2-diaminocyclohexane; (+/-)-trans-cyclopentane-1,2-diol; (1R)-trans-1,2-Cyclohexanediamine; (1R,2R)-(-)-1,2-cyclopentanediol; (1R,2R)-(-)-TRANS-1,2-CYCLOPENTANEDIOL; (1r,2r)-1,2-cyclopentanediol; (1r,2r)-1,2-diaminocyclohexane; (1R,2R)-cyclopentane-1,2-diol; (1r,2r)-diaminocyclohexane; (1R,2R)-TRANS-1,2-CYCLOPENTANEDIOL; (R,R)-cyclopentane-1,2-diol; MFCD00082580; r-dach; rr-diaminocyclohexane; trans-cyclohexane-1,2-diamine;

View all

1.3 CAS No.: 930-46-1

1.4 CID: 225711

1.5 EINECS: 225-757-6

1.6 Molecular Formula: C5H10O2

1.7 Inchi: InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5-/m1/s1

1.8 InChkey: VCVOSERVUCJNPR-RFZPGFLSSA-N

1.9 Canonical Smiles: C1CC(C(C1)O)O

1.10 Isomers Smiles: C1C[C@H]([C@@H](C1)O)O

2. Properties

2.1 Appearance: Not Available

2.2 StorageTemp: 2-8°C

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

4. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

5. Synthesis Route

930-46-1Total: 17 Synthesis Route

285-67-6 121 Suppliers

930-46-1 6 Suppliers

285-67-6 121 Suppliers

930-46-1 6 Suppliers

63261-45-0 6 Suppliers

View all

6. Precursor and Product

precursor:

113350-85-9

285-67-6

5057-99-8

20520-67-6

26620-22-4

81455-00-7

1072-59-9

product:

7234-76-6

7. Computed Properties

Molecular Weight：102.13g/mol
Molecular Formula：C₅H₁₀O₂
Compound Is Canonicalized：True
XLogP3-AA：102.068079557
Monoisotopic Mass：102.068079557
Complexity：55.1
Rotatable Bond Count：0
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：40.5
Heavy Atom Count：：7
Defined Atom Stereocenter Count：2
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：AAADccBgMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAEAAABAACAIAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAA==