1-(3-Chlorophenyl)cyclopropanemethanamine - CAS 115816-31-4
Catalog: |
BB003627 |
Product Name: |
1-(3-Chlorophenyl)cyclopropanemethanamine |
CAS: |
115816-31-4 |
Synonyms: |
[1-(3-chlorophenyl)cyclopropyl]methanamine; [1-(3-chlorophenyl)cyclopropyl]methanamine |
IUPAC Name: | [1-(3-chlorophenyl)cyclopropyl]methanamine |
Description: | 1-(3-Chlorophenyl)cyclopropanemethanamine (CAS# 115816-31-4) is a useful research chemical. |
Molecular Weight: | 181.66 |
Molecular Formula: | C10H12ClN |
Canonical SMILES: | C1CC1(CN)C2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C10H12ClN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5,7,12H2 |
InChI Key: | PCAQCRJAVGXMQF-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.03060 |
Publication Number | Title | Priority Date |
AU-592728-B2 | N6-substituted adenosines | 19860131 |
CA-1270821-A | N.sub.6-substituted adenosines | 19860131 |
EP-0232813-A2 | N6-substituted Adenosines | 19860131 |
US-4755594-A | N6 -substituted adenosines | 19860131 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0658271 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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