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CAS 13552-21-1 1-Amino-2-butanol molecular structure lightbox
CAS RN: 13552-21-1

1-Amino-2-butanol

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 1ml In stock Inquiry
Batchno.20251024 25ml In stock Inquiry
Batchno.20250429 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 1ml / 5ml / 25ml Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-044037
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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: 5g
  • Available purity: ≥98%
  • 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 13552-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

13552-21-1 / 1-aminobutan-2-ol

Standard CAS: 13552-21-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13552-21-1
Multi CAS
No
Molecular Formula
C4H11NO
Molecular Weight
89.140000
Exact Mass
89.084064
SMILES
CCC(CN)O
InChI
InChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3
InChIKey
KODLUXHSIZOKTG-UHFFFAOYSA-N

Physical Properties

Physical Description
1-amino-2-butanol is a slightly yellow liquid. (NTP, 1992)
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly-closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
25.35
TPSA
46.25

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.26
XLogP3
-0.4
Consensus LogP
-0.31
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (95.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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