Home> Encyclopedia > / Others

7-azabicyclo[2.2.1]heptan-1-ylmethanol structure

7-azabicyclo[2.2.1]heptan-1-ylmethanol structure

7-azabicyclo[2.2.1]heptan-1-ylmethanol

Iupac Name：(3-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

CAS No.: 1184136-10-4

Molecular Weight：373.71568

Modify Date.: 2021-09-01 00:24

Request For Quotation

1. Names and Identifiers

1.1 Name: 7-azabicyclo[2.2.1]heptan-1-ylmethanol
1.2 Synonyms: (7-Aza-bicyclo[2.2.1]hept-1-yl)-methanol 7-Azabicyclo[2.2.1]heptane-1-methanol

1.3 CAS No.: 1184136-10-4

1.4 CID: 61041645

1.5 Molecular Formula: C₁₀H₁₂O₃ (isomer)

1.6 Inchi: InChI=1S/C16H21BrN2O/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18/h3-5,12,15H,1-2,6-11H2

1.7 InChkey: OWGLFIKZKQOYHZ-UHFFFAOYSA-N

1.8 Canonical Smiles: C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Br

1.9 Isomers Smiles: C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Br

2. Properties

3.1 PSA: 23.55000

3.1 logP: 3.02530

3.1 pKa: 15.84±0.10(Predicted)

3. Safety and Handling

4.1 WGK Germany: 3

4. 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

5. Computational chemical data

Molecular Weight: 373.71568g/mol
Molecular Formula: C_₁₀H_₁₂O_₃
Compound Is Canonicalized: True
XLogP3-AA: 3.2
Exact Mass: 336.08373
Monoisotopic Mass: 336.08373
Complexity: 335
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 23.6
Heavy Atom Count: 20
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

Global3SuppliersView all >>

Shengda Pharmaceutical Co., Limited

Tel:86-755-85269922

1184136-10-4/UNC-926/99% purity with low price in stoc

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/kilogram
Time: 2022/03/31

Inquire

tianjin kailiqi biotechnology co.，ltd

Tel:+86-22-23754520

UNC-926

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

Inquire

Shanghai Haoyuan Chemexpress Co., Ltd

Tel:

UNC-926 Hydochloride

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

Inquire

Directory

1. Names and Identifiers

1.5 Molecular Formula

1.8 Canonical Smiles

1.9 Isomers Smiles

2. Properties

3. Safety and Handling

4.1 WGK Germany

5.Computational chemical data

6.Recommended Suppliers