CAS RN: 515-98-0
Ammonium Lactate
Product Availability
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4 package records4 with current stock2 grade groups
- Product code: starshine_CAS515-98-0
- Purity/Analytical Methods: >99.0%
515-98-0 / azanium 2-hydroxypropanoate
Basic Information
CAS
515-98-0
Multi CAS
Yes
Molecular Formula
C3H9NO3
Molecular Weight
107.110000
Exact Mass
107.058243
InChI
InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3
InChIKey
RZOBLYBZQXQGFY-UHFFFAOYSA-N
Physical Properties
Density
1.2 at 59 °F (USCG, 1999) - Denser than water; will sink
Physical Description
Ammonium lactate appears as white solid or liquid. Has no odor. Sinks and mixes with water. (USCG, 1999)
Liquid
White solid or liquid; Odorless; [CHRIS] 68-72% Aqueous solution: Light yellow liquid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
22.67
TPSA
96.86
LogP / Solubility
WLOGP
-1.51
MLOGP
-1.34
XLogP3
-1.51
Consensus LogP
-1.45
Log S (ESOL)
0.51
Class (ESOL)
Highly soluble
Log S (Ali)
0.65
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.77
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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