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CAS 107017-73-2 [1-(tert-Butoxycarbonylamino)cyclopropyl]methanol molecular structure lightbox
CAS RN: 107017-73-2

[1-(tert-Butoxycarbonylamino)cyclopropyl]methanol

  • Product code: SSC-008486
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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: 0.25g, 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 107017-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

107017-73-2 / tert-butyl N-[1-(hydroxymethyl)cyclopropyl]carbamate

Tert-butyl N-[1-(hydroxymethyl)cyclopropyl]carbamate | tert-butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate | RefChem:895281

Standard CAS: 107017-73-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107017-73-2
Multi CAS
Yes
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
SMILES
CC(C)(C)OC(=O)NC1(CC1)CO
InChI
InChI=1S/C9H17NO3/c1-8(2,3)13-7(12)10-9(6-11)4-5-9/h11H,4-6H2,1-3H3,(H,10,12)
InChIKey
HFMAZNJKNNRONT-UHFFFAOYSA-N
Synonyms
Tert-butyl N-[1-(hydroxymethyl)cyclopropyl]carbamate tert-butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate RefChem:895281 848-817-9 tert-Butyl (1-(hydroxymethyl)cyclopropyl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.42
TPSA
58.56

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
0.6
Consensus LogP
0.85
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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 (100%): 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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