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CAS 277328-34-4 1-CBZ-AMINO-2-METHYLAMINO-ETHANE-HCl molecular structure lightbox
CAS RN: 277328-34-4

1-CBZ-AMINO-2-METHYLAMINO-ETHANE-HCl

  • Product code: SSC-128069
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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, 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 277328-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

277328-34-4 / benzyl N-[2-(methylamino)ethyl]carbamate;hydrochloride

Standard CAS: 277328-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
277328-34-4
Multi CAS
Yes
Molecular Formula
C11H17CLN2O2
Molecular Weight
244.720000
Exact Mass
244.097856
InChI
InChI=1S/C11H16N2O2.ClH/c1-12-7-8-13-11(14)15-9-10-5-3-2-4-6-10;/h2-6,12H,7-9H2,1H3,(H,13,14);1H
InChIKey
OCADBAIAKGMWBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.8
TPSA
50.36

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.55
Consensus LogP
1.49
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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