Basic information
- CAS
213475-74-2- Standard SMILES
CC(C)(C)OC(=O)NC(CN)CN- InChIKey
FFCXTFAZMDAIIX-UHFFFAOYSA-N- Molecular formula
- C8H19N3O2
- Average molar mass
- 189.26 g/mol
- Monoisotopic mass
- 189.14772686
Names & identifiers
- Preferred name
- tert-butyl N-(1,3-diaminopropan-2-yl)carbamate
- IUPAC
- tert-butyl N-(1,3-diaminopropan-2-yl)carbamate
- English name
- Carbamic acid, [2-amino-1-(aminomethyl)ethyl]-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C8H19N3O2
- Molecular weight
- 189.26
Names & synonyms
213475-74-2Tert-butyl N-(1,3-diaminopropan-2-yl)carbamateRefChem:895202881-839-7tert-butyl (1,3-diaminopropan-2-yl)carbamateCarbamic acid, [2-amino-1-(aminomethyl)ethyl]-, 1,1-dimethylethyl ester (9CI)C8H19N3O2SCHEMBL2846888YQF4008NIA47574AKOS026727603DA-08230
Show more names
tert-butyl 1,3-diaminopropan-2-ylcarbamateCarbamic acid, N-[2-amino-1-(aminomethyl)ethyl]-, 1,1-dimethylethyl ester
CS-0265069tert-butyl(1,3-diaminopropan-2-yl)carbamateEN300-96285F70861F675871tert-butyl N-[2-amino-1-(aminomethyl)ethyl]carbamateZ1262632946
Database identifiers
- CAS
213475-74-2- PubChem CID
- 11084635
- EC Number
- 881-839-7
- Nikkaji
- J963.306E
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 331.6 · 331.6±32.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- pka
- 11.76 · 11.76±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…