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CAS 110716-81-9 (2R,3R)-3-AMINO-2-BUTANOL molecular structure lightbox
CAS RN: 110716-81-9

(2R,3R)-3-AMINO-2-BUTANOL

  • Product code: SSC-011684
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110716-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

110716-81-9 / (2R,3R)-3-aminobutan-2-ol

3-aminobutan-2-ol | DTXSID60280624 | RefChem:92964

Standard CAS: 110716-81-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110716-81-9
Multi CAS
Yes
Molecular Formula
C4H11NO
Molecular Weight
89.140000
Exact Mass
89.084064
SMILES
C[C@H]([C@@H](C)O)N
InChI
InChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/t3-,4-/m1/s1
InChIKey
FERWBXLFSBWTDE-QWWZWVQMSA-N
Synonyms
3-aminobutan-2-ol DTXSID60280624 RefChem:92964 DTXCID20231778 801-139-7

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
25.33
TPSA
46.25

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.26
XLogP3
-0.5
Consensus LogP
-0.35
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
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)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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