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41052-94-2

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Chemistry

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Also known as: 811-399-3, 41052-94-2, 1-tert-butylamino-3-chloro-2-propanol hydrochloride, 1-(tert-butylamino)-3-chloropropan-2-ol;hydrochloride, 1-(tert-butylamino)-3-chloropropan-2-ol hcl, 1-tert-butylamino-3-chloro-2-propanol hcl

Molecular Formula

C₇H₁₇Cl₂NO

Molecular Weight

202.12 g/mol

InChI Key

QWXUJPJVNKCDKJ-UHFFFAOYSA-N

1 2D Structure

41052-94-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(tert-butylamino)-3-chloropropan-2-ol;hydrochloride

2.1.2 InChI

InChI=1S/C7H16ClNO.ClH/c1-7(2,3)9-5-6(10)4-8;/h6,9-10H,4-5H2,1-3H3;1H

2.1.3 InChI Key

QWXUJPJVNKCDKJ-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 811-399-3

2. 41052-94-2

3. 1-tert-butylamino-3-chloro-2-propanol Hydrochloride

4. 1-(tert-butylamino)-3-chloropropan-2-ol;hydrochloride

5. 1-(tert-butylamino)-3-chloropropan-2-ol Hcl

6. 1-tert-butylamino-3-chloro-2-propanol Hcl

7. C7h17cl2no

8. Mfcd00191401

9. Schembl6551333

10. Dtxsid30481848

11. Nsc263622

12. Nsc-263622

13. Bl001070

14. Cs-0313536

15. 1-(tert-butylamino)-3-chloropropan-2-olhydrochloride

16. 1-(tert-butylamino)-3-chloropropan-2-ol--hydrogen Chloride (1/1)

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₇Cl₂NO
Molecular Weight	202.12 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	32.3
Heavy Atom Count	11
Formal Charge	0
Complexity	90.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2