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CAS 103614-40-0 N-ME-ALA-OTBU HCL molecular structure lightbox
CAS RN: 103614-40-0

N-ME-ALA-OTBU HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-005178
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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: 10g
  • Available purity: ＞97%
  • 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 103614-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

103614-40-0 / tert-butyl (2S)-2-(methylamino)propanoate;hydrochloride

TERT-BUTYL (2S)-2-(METHYLAMINO)PROPANOATE HYDROCHLORIDE | RefChem:891701 | 969-614-2

Standard CAS: 103614-40-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103614-40-0
Multi CAS
Yes
Molecular Formula
C8H18ClNO2
Molecular Weight
195.690000
Exact Mass
195.102607
SMILES
C[C@@H](C(=O)OC(C)(C)C)NC.Cl
InChI
InChI=1S/C8H17NO2.ClH/c1-6(9-5)7(10)11-8(2,3)4;/h6,9H,1-5H3;1H/t6-;/m0./s1
InChIKey
PFFJYAVJRFRTKL-RGMNGODLSA-N
Synonyms
TERT-BUTYL (2S)-2-(METHYLAMINO)PROPANOATE HYDROCHLORIDE RefChem:891701 969-614-2 (S)-tert-Butyl 2-(methylamino)propanoate hydrochloride N-Me-Ala-OtBu HCl

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.61
TPSA
38.33

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1.36
Consensus LogP
1.3
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-2.95

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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