UCSF

ZINC12370636

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 16 Yes

Popular Name: 4-(4-Methyl-1,4-diazepan-1-yl)benzylamine 4-(4-Methyl-1,4-diazepan-1-yl)be…

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CAS Numbers: 448934-01-8 , N/A , [448934-01-8]

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) 1.39 4.6 -84.71 4 3 2 35 221.348 2 ↓

Vendor Notes

Note Type Comments Provided By
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; 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 Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; 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 Acros Organics

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