UCSF

ZINC02557991

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: N-Boc-1,3-propanediamine N-Boc-1,3-propanediamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 127346-48-9 , 75178-96-0 , N-(3-Aminopropyl)carbamic acid tertbutylester , [127346-48-9] , [75178-96-0]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 0.21 0.07 -48.46 4 4 1 66 175.252 5 ↓
Hi High (pH 8-9.5) 3.80 8.01 -13.79 0 6 0 74 403.261 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 159-161? Alfa-Aesar
Melting_Point 159-161° Alfa-Aesar
BP 203° Oakwood Chemical
Mp [°C] 22 Acros Organics
MP 22 - 24 Enamine Building Blocks
MP 22...24 Enamine Building Blocks
MP 22° Oakwood Chemical
MP 82 - 83 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
BP [°C] 94 - 96 (p=0.2 torr) Acros Organics
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 96% Fluorochem
Hazard C: Corrosive Acros Organics
Melting_Point ca 22? Alfa-Aesar
Melting_Point ca 22° Alfa-Aesar
Warnings Corrosive/Air Sensitive/Refrigerate Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H335: May cause respiratory irritation Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water 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; P310: Immediately call a POISON CENTER or doctor/physician; P305 + P351 + P338: IF IN EYES: Rinse cauti Acros Organics
R phrase R34: Causes burns. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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