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1-Butamine 4-azide

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CHEMISTRY

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Chemistry

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Also known as: 88192-20-5, 4-azido-1-butanamine, 1-butanamine, 4-azido-, 4-azidobutylamine, 1-butamine 4-azide, 1-azido-4-aminobutane

Molecular Formula

C₄H₁₀N₄

Molecular Weight

114.15 g/mol

InChI Key

LFMZGBHJJNIRKH-UHFFFAOYSA-N

CAS 88192-20-5

1 2D Structure

CAS 88192-20-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-azidobutan-1-amine

2.1.2 InChI

InChI=1S/C4H10N4/c5-3-1-2-4-7-8-6/h1-5H2

2.1.3 InChI Key

LFMZGBHJJNIRKH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCN=[N+]=[N-])CN

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 88192-20-5

2. 4-azido-1-butanamine

3. 1-butanamine, 4-azido-

4. 4-azidobutylamine

5. 1-butamine 4-azide

6. 1-azido-4-aminobutane

7. Lczc1219

8. Schembl13986345

9. Dtxsid40236881

10. Zinc5113192

11. Akos006309470

12. Da-01668

13. Hy-108374

14. Cs-0028502

15. Ft-0685279

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₀N₄
Molecular Weight	114.15 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	114.090546336 g/mol
Monoisotopic Mass	114.090546336 g/mol
Topological Polar Surface Area	40.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	84
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	1

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