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CAS 1117693-58-9 tert-Butyl (2-amino-2-cyclopropylethyl)carbamate molecular structure lightbox
CAS RN: 1117693-58-9

tert-Butyl (2-amino-2-cyclopropylethyl)carbamate

  • Product code: SSC-012296
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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: 1g
  • Available purity: ≥95%
  • 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 1117693-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1117693-58-9 / tert-butyl N-(2-amino-2-cyclopropylethyl)carbamate

tert-butyl N-(2-amino-2-cyclopropylethyl)carbamate | tert-Butyl (2-amino-2-cyclopropylethyl)carbamate | MFCD18658759

Standard CAS: 1117693-58-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1117693-58-9
Multi CAS
No
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
SMILES
CC(C)(C)OC(=O)NCC(C1CC1)N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(11)7-4-5-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)
InChIKey
BZVMTGHIUOJVJE-UHFFFAOYSA-N
Synonyms
tert-butyl N-(2-amino-2-cyclopropylethyl)carbamate tert-Butyl (2-amino-2-cyclopropylethyl)carbamate MFCD18658759 SCHEMBL2544104 BZVMTGHIUOJVJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.94
TPSA
64.35

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
0.8
Consensus LogP
1.05
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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