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CAS 849020-94-6 tert-Butyl 2-(aminomethyl)phenylcarbamate molecular structure lightbox
CAS RN: 849020-94-6

tert-Butyl 2-(aminomethyl)phenylcarbamate

  • Product code: SSC-192621
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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: 5g
  • 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 849020-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

849020-94-6 / tert-butyl N-[2-(aminomethyl)phenyl]carbamate

Standard CAS: 849020-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
849020-94-6
Multi CAS
No
Molecular Formula
C12H18N2O2
Molecular Weight
222.280000
Exact Mass
222.136828
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKey
BFFRNSYPZZUZDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.19
TPSA
64.35

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
1.9
Consensus LogP
2.2
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.31

Drug-likeness / Medicinal Chemistry

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

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