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CAS 1007873-90-6 (S)-2-AMinoMethyl-1-Boc-azetidine molecular structure lightbox
CAS RN: 1007873-90-6

(S)-2-AMinoMethyl-1-Boc-azetidine

  • Product code: SSC-001502
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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: 0.1g, 0.25g, 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 1007873-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1007873-90-6 / tert-butyl (2S)-2-(aminomethyl)azetidine-1-carboxylate

tert-Butyl 2-(aminomethyl)azetidine-1-carboxylate | RefChem:892396 | 869-574-5

Standard CAS: 1007873-90-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1007873-90-6
Multi CAS
Yes
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
SMILES
CC(C)(C)OC(=O)N1CC[C@H]1CN
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-6,10H2,1-3H3/t7-/m0/s1
InChIKey
XTIGSUFOTRCYOO-ZETCQYMHSA-N
Synonyms
tert-Butyl 2-(aminomethyl)azetidine-1-carboxylate RefChem:892396 869-574-5 MFCD08544502 2-AMINOMETHYL-1-BOC-AZETIDINE

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.4
TPSA
55.56

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.4
Consensus LogP
0.73
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.18

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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