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CAS 112245-13-3 L-tert-Leucinol molecular structure lightbox
CAS RN: 112245-13-3

L-tert-Leucinol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250808 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-012706
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 112245-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

112245-13-3 / (2S)-2-amino-3,3-dimethylbutan-1-ol

(2S)-2-amino-3,3-dimethylbutan-1-ol | (2s)-2-amino-3,3-dimethyl-1-butanol | DTXSID50920704

Standard CAS: 112245-13-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112245-13-3
Multi CAS
Yes
Molecular Formula
C6H15NO
Molecular Weight
117.190000
Exact Mass
117.115364
SMILES
CC(C)(C)[C@@H](CO)N
InChI
InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m1/s1
InChIKey
JBULSURVMXPBNA-RXMQYKEDSA-N
Synonyms
(2S)-2-amino-3,3-dimethylbutan-1-ol (2s)-2-amino-3,3-dimethyl-1-butanol DTXSID50920704 RefChem:398243 DTXCID401775911

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.52
TPSA
46.25

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
0.4
Consensus LogP
0.35
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-3.18

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] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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