UCSF

ZINC00403197

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 14 Yes

Popular Name: (1R,4R)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride (1R,4R)-tert-butyl 2,5-diazabicy…

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CAS Numbers: 113451-59-5 , 1217644-72-8 , 1269437-74-2 , 134003-84-2 , 198989-07-0 , 870237-35-7 , [1269437-74-2] , [198989-07-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.13 3.78 -46.48 2 4 1 46 199.274 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 74 - 76 Acros Organics
Melting_Point 74-76? Alfa-Aesar
Melting_Point 74-76° Alfa-Aesar
MP 75-77° Oakwood Chemical
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )