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CAS 112211-88-8 (S)-2-Isopropylamino-3-methyl-1-butanol molecular structure lightbox
CAS RN: 112211-88-8

(S)-2-Isopropylamino-3-methyl-1-butanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 1g In stock Shanghai Inquiry
  • Product code: SSC-012694
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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: 0
  • 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 112211-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 0 0 Out of Stock Shenzhen Inquiry

112211-88-8 / (2S)-3-methyl-2-(propan-2-ylamino)butan-1-ol

2-(isopropylamino)-3-methyl-butan-1-ol | SCHEMBL2606732 | AKOS009158918

Standard CAS: 112211-88-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112211-88-8
Multi CAS
Yes
Molecular Formula
C8H19NO
Molecular Weight
145.240000
Exact Mass
145.146664
SMILES
CC(C)[C@@H](CO)NC(C)C
InChI
InChI=1S/C8H19NO/c1-6(2)8(5-10)9-7(3)4/h6-10H,5H2,1-4H3/t8-/m1/s1
InChIKey
ANZBKMZVBJDTEL-MRVPVSSYSA-N
Synonyms
2-(isopropylamino)-3-methyl-butan-1-ol SCHEMBL2606732 AKOS009158918 SB47869

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.98
TPSA
32.26

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
1.3
Consensus LogP
1.06
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-2.9

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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