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CAS 513-49-5 (S)-(+)-2-Aminobutane molecular structure lightbox
CAS RN: 513-49-5

(S)-(+)-2-Aminobutane

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Batchno.20250217 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS513-49-5
  • Purity/Analytical Methods: >99.0%
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513-49-5 / butan-2-amine

Standard CAS: 513-49-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
513-49-5
Multi CAS
Yes
Molecular Formula
C4H11N
Molecular Weight
73.140000
Exact Mass
73.089149
InChI
InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
InChIKey
BHRZNVHARXXAHW-UHFFFAOYSA-N

Physical Properties

Melting Point
-155 °F (NTP, 1992) -104 °C
Boiling Point
146.3 °F at 760 mmHg (NTP, 1992) 63 °C
Density
0.721 at 68 °F (USCG, 1999) - Less dense than water; will float 0.724 at 20 °C/4 °C Relative density (water = 1): 0.7 0.715-0.721
Physical Description
Sec-butylamine is a white liquid with an odor of ammonia. (USCG, 1999) Colorless liquid with an ammonia-like odor; [HSDB] Liquid COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. Colourless to yellow liquid; Fishy ammonia aroma
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
23.94
TPSA
26.02

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.6
Consensus LogP
0.66
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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