1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-aminoheptanoic acid;hydrochloride

2.1.2 InChI

InChI=1S/C7H15NO2.ClH/c8-6-4-2-1-3-5-7(9)10;/h1-6,8H2,(H,9,10);1H

2.1.3 InChI Key

RMYDYIDGGSILID-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCCN)CCC(=O)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 62643-56-5

2. 7-aminoheptanoic Acid Hcl

3. 7-aminoheptanoic Acid;hydrochloride

4. Heptanoic Acid, 7-amino-, Hydrochloride

5. Mfcd12405602

6. 7-aminoheptanoicacidhydrochloride

7. Schembl1284064

8. 7-amino-heptanoic Acid Hydrochloride

9. Akos015894256

10. Ac-27015

11. As-10683

12. Sy034831

13. Db-073166

14. Ft-0698702

15. F11866

16. A868415

17. Q-200560

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₆ClNO₂
Molecular Weight	181.66 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	181.0869564 g/mol
Monoisotopic Mass	181.0869564 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	93.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

CAS 62643-56-5