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Also known as: 62643-56-5, 7-aminoheptanoic acid hcl, 7-aminoheptanoic acid;hydrochloride, Heptanoic acid, 7-amino-, hydrochloride, Mfcd12405602, 7-aminoheptanoicacidhydrochloride
Molecular Formula
C7H16ClNO2
Molecular Weight
181.66  g/mol
InChI Key
RMYDYIDGGSILID-UHFFFAOYSA-N

CAS 62643-56-5
1 2D Structure

CAS 62643-56-5

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 Weight 181.66 g/mol
Molecular Formula C7H16ClNO2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass181.0869564 g/mol
Monoisotopic Mass181.0869564 g/mol
Topological Polar Surface Area63.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity93.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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