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CAS 1158758-85-0 1-Boc-3-(aMinoMethyl)-3-M… molecular structure lightbox
CAS RN: 1158758-85-0

1-Boc-3-(aMinoMethyl)-3-M…

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20260317 1g In stock Shanghai Inquiry
Batchno.20250526 250mg In stock Shanghai Inquiry
Batchno.20260204 5g In stock Tianjin Inquiry
  • Product code: SSC-015654
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1158758-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shanghai Inquiry
0.25g >98% 0 Out of Stock Shanghai Inquiry
1g >98% 0 Out of Stock Beijing Inquiry
5g >98% 0 Out of Stock Hong Kong Inquiry

1158758-85-0 / tert-butyl 3-(aminomethyl)-3-methylazetidine-1-carboxylate

TERT-BUTYL 3-(AMINOMETHYL)-3-METHYLAZETIDINE-1-CARBOXYLATE | DTXSID70725551 | RefChem:383311

Standard CAS: 1158758-85-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1158758-85-0
Multi CAS
Yes
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7,11H2,1-4H3
InChIKey
NUSZXESXGDKVCH-UHFFFAOYSA-N
Synonyms
TERT-BUTYL 3-(AMINOMETHYL)-3-METHYLAZETIDINE-1-CARBOXYLATE DTXSID70725551 RefChem:383311 DTXCID70676296 863-647-5

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.97
TPSA
55.56

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
0.6
Consensus LogP
0.95
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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